N',N'-di(nonyl)pentane-1,5-diamine

C23H50N2 — CID 142498859

IUPACN',N'-di(nonyl)pentane-1,5-diamine
SMILESCCCCCCCCCN(CCCCCN)CCCCCCCCC
InChIInChI=1S/C23H50N2/c1-3-5-7-9-11-13-17-21-25(23-19-15-16-20-24)22-18-14-12-10-8-6-4-2/h3-24H2,1-2H3
InChIKeyAKZHPDAJPAEKEX-UHFFFAOYSA-N
MW354.67 g/mol
LogP6.92
Rot. Bonds21

About N',N'-di(nonyl)pentane-1,5-diamine

N',N'-di(nonyl)pentane-1,5-diamine (PubChem CID 142498859) has the molecular formula C23H50N2 and a molecular weight of 354.67 g/mol. Its IUPAC name is N',N'-di(nonyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN',N'-di(nonyl)pentane-1,5-diamine
PubChem CID142498859
Molecular FormulaC23H50N2
Molecular Weight354.67 g/mol
Exact Mass354.40
IUPAC NameN',N'-di(nonyl)pentane-1,5-diamine
SMILESCCCCCCCCCN(CCCCCN)CCCCCCCCC
InChIInChI=1S/C23H50N2/c1-3-5-7-9-11-13-17-21-25(23-19-15-16-20-24)22-18-14-12-10-8-6-4-2/h3-24H2,1-2H3
InChIKeyAKZHPDAJPAEKEX-UHFFFAOYSA-N
XLogP6.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.67
LogP ≤ 56.92
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'-(7-aminoheptyl)-N'-hexadecyloctane-1,8-diamine
CID 161025353
N',N'-dioctadecylhexane-1,6-diamine
CID 142629874
N,N-didodecyldodecan-1-amine;dodecan-1-amine
CID 161417481
N'-(3-aminopropyl)-N'-hexylbutane-1,4-diamine
CID 10955355
N',N'-diheptylpropane-1,3-diamine
CID 22251174
N'-(3-aminopropyl)-N'-dodecylpropane-1,3-diamine
CID 159685890
N'-[3-[3-aminopropyl(octadecyl)amino]propyl]-N'-butylpropane-1,3-diamine;N'-butyl-N'-dodecylpropane-1,3-diamine
CID 162265791
N'-(2-aminoethyl)-N'-hexylethane-1,2-diamine
CID 62923108
N,N-dioctyloctan-1-amine;(Z)-octadec-9-en-1-amine
CID 175208767
N-heptadecyl-N-heptylheptadecan-1-amine
CID 139722683
N-docosyl-N-icosyldocosan-1-amine
CID 23464225
N,N-dihexyloctan-1-amine
CID 21418080

Frequently Asked Questions

What is the IUPAC name of N',N'-di(nonyl)pentane-1,5-diamine?
The IUPAC name of N',N'-di(nonyl)pentane-1,5-diamine (CID 142498859) is N',N'-di(nonyl)pentane-1,5-diamine.
What is the SMILES notation for N',N'-di(nonyl)pentane-1,5-diamine?
The canonical SMILES for N',N'-di(nonyl)pentane-1,5-diamine is CCCCCCCCCN(CCCCCN)CCCCCCCCC.
What is the InChIKey of N',N'-di(nonyl)pentane-1,5-diamine?
The InChIKey is AKZHPDAJPAEKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50N2/c1-3-5-7-9-11-13-17-21-25(23-19-15-16-20-24)22-18-14-12-10-8-6-4-2/h3-24H2,1-2H3.
What are the key properties of N',N'-di(nonyl)pentane-1,5-diamine?
N',N'-di(nonyl)pentane-1,5-diamine has a molecular weight of 354.67 g/mol, XLogP of 6.92, 21 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-di(nonyl)pentane-1,5-diamine is sourced from PubChem (CID 142498859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).