N',N'-diethylbutane-1,4-diamine;N',N'-diethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;N',N'-di(propan-2-yl)ethane-1,2-diamine

C26H68N8 — CID 159329709

IUPACN',N'-diethylbutane-1,4-diamine;N',N'-diethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCN)C(C)C.CCN(CC)CCCCN.CCN(CC)CCN.CN(C)CCN
InChIInChI=1S/2C8H20N2.C6H16N2.C4H12N2/c1-7(2)10(6-5-9)8(3)4;1-3-10(4-2)8-6-5-7-9;1-3-8(4-2)6-5-7;1-6(2)4-3-5/h7-8H,5-6,9H2,1-4H3;3-9H2,1-2H3;3-7H2,1-2H3;3-5H2,1-2H3
InChIKeyLEUZIZHPVJVQBM-UHFFFAOYSA-N
MW492.89 g/mol
LogP1.92
Rot. Bonds16

About N',N'-diethylbutane-1,4-diamine;N',N'-diethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;N',N'-di(propan-2-yl)ethane-1,2-diamine

N',N'-diethylbutane-1,4-diamine;N',N'-diethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 159329709) has the molecular formula C26H68N8 and a molecular weight of 492.89 g/mol. Its IUPAC name is N',N'-diethylbutane-1,4-diamine;N',N'-diethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethylbutane-1,4-diamine;N',N'-diethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID159329709
Molecular FormulaC26H68N8
Molecular Weight492.89 g/mol
Exact Mass492.56
IUPAC NameN',N'-diethylbutane-1,4-diamine;N',N'-diethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCN)C(C)C.CCN(CC)CCCCN.CCN(CC)CCN.CN(C)CCN
InChIInChI=1S/2C8H20N2.C6H16N2.C4H12N2/c1-7(2)10(6-5-9)8(3)4;1-3-10(4-2)8-6-5-7-9;1-3-8(4-2)6-5-7;1-6(2)4-3-5/h7-8H,5-6,9H2,1-4H3;3-9H2,1-2H3;3-7H2,1-2H3;3-5H2,1-2H3
InChIKeyLEUZIZHPVJVQBM-UHFFFAOYSA-N
XLogP1.92
TPSA117.04 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.89
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N',N'-diethylbutane-1,4-diamine;N',N'-diethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;N',N'-di(propan-2-yl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N',N'-diethylnonane-1,9-diamine
CID 22055140
N',N'-di(propan-2-yl)butane-1,4-diamine
CID 15365351
N'-[3-[di(propan-2-yl)amino]propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 178016346
3-(diethylamino)propan-1-ol;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;2-[di(propan-2-yl)amino]ethanol;N'-ethyl-N'-methylpropane-1,3-diamine
CID 158028824
N',N'-di(propan-2-yl)ethane-1,2-diamine;ethane;molecular hydrogen
CID 142371506
N'-(2-aminoethyl)-N'-ethylpropane-1,3-diamine
CID 55289486
N'-(3-aminopropyl)-N'-ethylbutane-1,4-diamine
CID 86127606
3-(diethylamino)propan-1-ol;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;2-[di(propan-2-yl)amino]ethanol
CID 174850571
N',N'-bis(2-methylpropyl)pentane-1,5-diamine
CID 3723368
N'-(3-aminopropyl)-N'-(2-methylpropyl)butane-1,4-diamine
CID 86269595
N'-[2-(dimethylamino)ethyl]-N'-ethylethane-1,2-diamine;ethane
CID 143734586
N,N-diethyldodecan-1-amine;N,N-dihydroxydodecan-1-amine;N,N-dimethyldodecan-1-amine;N,N-dimethylhexadecan-1-amine;tetradecan-1-amine
CID 173438925

Frequently Asked Questions

What is the IUPAC name of N',N'-diethylbutane-1,4-diamine;N',N'-diethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethylbutane-1,4-diamine;N',N'-diethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 159329709) is N',N'-diethylbutane-1,4-diamine;N',N'-diethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethylbutane-1,4-diamine;N',N'-diethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethylbutane-1,4-diamine;N',N'-diethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;N',N'-di(propan-2-yl)ethane-1,2-diamine is CC(C)N(CCN)C(C)C.CCN(CC)CCCCN.CCN(CC)CCN.CN(C)CCN.
What is the InChIKey of N',N'-diethylbutane-1,4-diamine;N',N'-diethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is LEUZIZHPVJVQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H20N2.C6H16N2.C4H12N2/c1-7(2)10(6-5-9)8(3)4;1-3-10(4-2)8-6-5-7-9;1-3-8(4-2)6-5-7;1-6(2)4-3-5/h7-8H,5-6,9H2,1-4H3;3-9H2,1-2H3;3-7H2,1-2H3;3-5H2,1-2H3.
What are the key properties of N',N'-diethylbutane-1,4-diamine;N',N'-diethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;N',N'-di(propan-2-yl)ethane-1,2-diamine?
N',N'-diethylbutane-1,4-diamine;N',N'-diethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 492.89 g/mol, XLogP of 1.92, 16 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethylbutane-1,4-diamine;N',N'-diethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 159329709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).