N',N'-dimethyl-N-propylbutane-1,4-diamine;ethane

C11H28N2 — CID 178117503

IUPACN',N'-dimethyl-N-propylbutane-1,4-diamine;ethane
SMILESCC.CCCNCCCCN(C)C
InChIInChI=1S/C9H22N2.C2H6/c1-4-7-10-8-5-6-9-11(2)3;1-2/h10H,4-9H2,1-3H3;1-2H3
InChIKeyRCEPPWAWMWARFM-UHFFFAOYSA-N
MW188.36 g/mol
LogP2.35
Rot. Bonds7

About N',N'-dimethyl-N-propylbutane-1,4-diamine;ethane

N',N'-dimethyl-N-propylbutane-1,4-diamine;ethane (PubChem CID 178117503) has the molecular formula C11H28N2 and a molecular weight of 188.36 g/mol. Its IUPAC name is N',N'-dimethyl-N-propylbutane-1,4-diamine;ethane.

Molecular Properties

Compound NameN',N'-dimethyl-N-propylbutane-1,4-diamine;ethane
PubChem CID178117503
Molecular FormulaC11H28N2
Molecular Weight188.36 g/mol
Exact Mass188.23
IUPAC NameN',N'-dimethyl-N-propylbutane-1,4-diamine;ethane
SMILESCC.CCCNCCCCN(C)C
InChIInChI=1S/C9H22N2.C2H6/c1-4-7-10-8-5-6-9-11(2)3;1-2/h10H,4-9H2,1-3H3;1-2H3
InChIKeyRCEPPWAWMWARFM-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(dimethylamino)ethyl]-N,N'-dipropylbutane-1,4-diamine
CID 62436376
N',N'-dimethyl-N-propylethane-1,2-diamine;ethane
CID 134080811
4-[3-(dimethylamino)propoxy]-N-propylbutan-1-amine
CID 62458821
N',N'-dimethyl-N-pentylpropane-1,3-diamine;hydrochloride
CID 174617187
N-dodecyl-N',N'-dimethylpropane-1,3-diamine
CID 55195797
N',N'-dimethyl-N-tetradecylpropane-1,3-diamine
CID 15792997
N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine
CID 10999288
N',N'-dimethyl-N-tetradecylethane-1,2-diamine
CID 15792996
N'-[6-(dimethylamino)hexyl]-N-methylhexane-1,6-diamine
CID 57013062
5-[2-(dimethylamino)ethoxy]-N-propylpentan-1-amine
CID 62458591
N-butyl-N',N'-dimethylethane-1,2-diamine
CID 16781457
N-(3-aminopropyl)-N',N'-dimethylhexane-1,6-diamine
CID 23461237

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-propylbutane-1,4-diamine;ethane?
The IUPAC name of N',N'-dimethyl-N-propylbutane-1,4-diamine;ethane (CID 178117503) is N',N'-dimethyl-N-propylbutane-1,4-diamine;ethane.
What is the SMILES notation for N',N'-dimethyl-N-propylbutane-1,4-diamine;ethane?
The canonical SMILES for N',N'-dimethyl-N-propylbutane-1,4-diamine;ethane is CC.CCCNCCCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-propylbutane-1,4-diamine;ethane?
The InChIKey is RCEPPWAWMWARFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2.C2H6/c1-4-7-10-8-5-6-9-11(2)3;1-2/h10H,4-9H2,1-3H3;1-2H3.
What are the key properties of N',N'-dimethyl-N-propylbutane-1,4-diamine;ethane?
N',N'-dimethyl-N-propylbutane-1,4-diamine;ethane has a molecular weight of 188.36 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-propylbutane-1,4-diamine;ethane is sourced from PubChem (CID 178117503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).