N',N'-diheptylpropane-1,3-diamine

C17H38N2 — CID 22251174

IUPACN',N'-diheptylpropane-1,3-diamine
SMILESCCCCCCCN(CCCN)CCCCCCC
InChIInChI=1S/C17H38N2/c1-3-5-7-9-11-15-19(17-13-14-18)16-12-10-8-6-4-2/h3-18H2,1-2H3
InChIKeyNTEBLCNLXSCPCC-UHFFFAOYSA-N
MW270.50 g/mol
LogP4.58
Rot. Bonds15

About N',N'-diheptylpropane-1,3-diamine

N',N'-diheptylpropane-1,3-diamine (PubChem CID 22251174) has the molecular formula C17H38N2 and a molecular weight of 270.50 g/mol. Its IUPAC name is N',N'-diheptylpropane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diheptylpropane-1,3-diamine
PubChem CID22251174
Molecular FormulaC17H38N2
Molecular Weight270.50 g/mol
Exact Mass270.30
IUPAC NameN',N'-diheptylpropane-1,3-diamine
SMILESCCCCCCCN(CCCN)CCCCCCC
InChIInChI=1S/C17H38N2/c1-3-5-7-9-11-15-19(17-13-14-18)16-12-10-8-6-4-2/h3-18H2,1-2H3
InChIKeyNTEBLCNLXSCPCC-UHFFFAOYSA-N
XLogP4.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 54.58
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'-(3-aminopropyl)-N'-dodecylpropane-1,3-diamine
CID 159685890
N'-(3-aminopropyl)-N'-hexylbutane-1,4-diamine
CID 10955355
N'-[3-[3-aminopropyl(octadecyl)amino]propyl]-N'-butylpropane-1,3-diamine;N'-butyl-N'-dodecylpropane-1,3-diamine
CID 162265791
N',N'-di(nonyl)pentane-1,5-diamine
CID 142498859
N',N'-dioctadecylhexane-1,6-diamine
CID 142629874
N'-(7-aminoheptyl)-N'-hexadecyloctane-1,8-diamine
CID 161025353
N,N-didodecyldodecan-1-amine;dodecan-1-amine
CID 161417481
N'-(2-aminoethyl)-N'-hexylethane-1,2-diamine
CID 62923108
N',N'-dibutylpropane-1,3-diamine;ethane
CID 170746351
N',N'-diethylpropane-1,3-diamine;docosane
CID 174486105
N,N'-bis(3-aminopropyl)-N,N'-bis(nonadec-9-enyl)butane-1,4-diamine
CID 76557641
N'-(8-octylhexadecyl)-N'-undecylpropane-1,3-diamine
CID 170756701

Frequently Asked Questions

What is the IUPAC name of N',N'-diheptylpropane-1,3-diamine?
The IUPAC name of N',N'-diheptylpropane-1,3-diamine (CID 22251174) is N',N'-diheptylpropane-1,3-diamine.
What is the SMILES notation for N',N'-diheptylpropane-1,3-diamine?
The canonical SMILES for N',N'-diheptylpropane-1,3-diamine is CCCCCCCN(CCCN)CCCCCCC.
What is the InChIKey of N',N'-diheptylpropane-1,3-diamine?
The InChIKey is NTEBLCNLXSCPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2/c1-3-5-7-9-11-15-19(17-13-14-18)16-12-10-8-6-4-2/h3-18H2,1-2H3.
What are the key properties of N',N'-diheptylpropane-1,3-diamine?
N',N'-diheptylpropane-1,3-diamine has a molecular weight of 270.50 g/mol, XLogP of 4.58, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diheptylpropane-1,3-diamine is sourced from PubChem (CID 22251174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).