N'-(3,4-dimethylpentyl)ethane-1,2-diamine

C9H22N2 — CID 156651247

IUPACN'-(3,4-dimethylpentyl)ethane-1,2-diamine
SMILESCC(C)C(C)CCNCCN
InChIInChI=1S/C9H22N2/c1-8(2)9(3)4-6-11-7-5-10/h8-9,11H,4-7,10H2,1-3H3
InChIKeyYTDLRCJEXPQNEU-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.22
Rot. Bonds6

About N'-(3,4-dimethylpentyl)ethane-1,2-diamine

N'-(3,4-dimethylpentyl)ethane-1,2-diamine (PubChem CID 156651247) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is N'-(3,4-dimethylpentyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3,4-dimethylpentyl)ethane-1,2-diamine
PubChem CID156651247
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC NameN'-(3,4-dimethylpentyl)ethane-1,2-diamine
SMILESCC(C)C(C)CCNCCN
InChIInChI=1S/C9H22N2/c1-8(2)9(3)4-6-11-7-5-10/h8-9,11H,4-7,10H2,1-3H3
InChIKeyYTDLRCJEXPQNEU-UHFFFAOYSA-N
XLogP1.22
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,5-dimethylhexan-1-amine
CID 55283993
N'-(4,5,5-trimethylhexyl)ethane-1,2-diamine
CID 137382586
2-(2-aminoethylamino)ethyl-trioxidophosphanium
CID 101174409
N-[2-(2-aminoethylamino)ethyl]-N',6-bis[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3,9-dimethylundecane-1,11-diamine
CID 138745195
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
N'-[3-[dimethoxy(methyl)silyl]butyl]ethane-1,2-diamine
CID 20524577
N'-[2-[2-[2-(propan-2-ylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 87748300
N,N'-bis(2-aminoethyl)-2-methylpropane-1,3-diamine
CID 22075501
3,8,9-trimethyldecan-1-amine
CID 155084510
1-N-(2-aminoethyl)-1-N'-[2-(2-aminoethylamino)ethyl]ethane-1,1-diamine
CID 18468827
(3S,7R)-2,3,7,8-tetramethylnonane
CID 153439349

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethylpentyl)ethane-1,2-diamine?
The IUPAC name of N'-(3,4-dimethylpentyl)ethane-1,2-diamine (CID 156651247) is N'-(3,4-dimethylpentyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3,4-dimethylpentyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3,4-dimethylpentyl)ethane-1,2-diamine is CC(C)C(C)CCNCCN.
What is the InChIKey of N'-(3,4-dimethylpentyl)ethane-1,2-diamine?
The InChIKey is YTDLRCJEXPQNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-8(2)9(3)4-6-11-7-5-10/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of N'-(3,4-dimethylpentyl)ethane-1,2-diamine?
N'-(3,4-dimethylpentyl)ethane-1,2-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethylpentyl)ethane-1,2-diamine is sourced from PubChem (CID 156651247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).