N,N-dipentylhexadecan-1-amine

C26H55N — CID 139723811

IUPACN,N-dipentylhexadecan-1-amine
SMILESCCCCCCCCCCCCCCCCN(CCCCC)CCCCC
InChIInChI=1S/C26H55N/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-23-26-27(24-21-8-5-2)25-22-9-6-3/h4-26H2,1-3H3
InChIKeyWCTLNLPQLPNCLH-UHFFFAOYSA-N
MW381.73 g/mol
LogP9.15
Rot. Bonds23

About N,N-dipentylhexadecan-1-amine

N,N-dipentylhexadecan-1-amine (PubChem CID 139723811) has the molecular formula C26H55N and a molecular weight of 381.73 g/mol. Its IUPAC name is N,N-dipentylhexadecan-1-amine.

Molecular Properties

Compound NameN,N-dipentylhexadecan-1-amine
PubChem CID139723811
Molecular FormulaC26H55N
Molecular Weight381.73 g/mol
Exact Mass381.43
IUPAC NameN,N-dipentylhexadecan-1-amine
SMILESCCCCCCCCCCCCCCCCN(CCCCC)CCCCC
InChIInChI=1S/C26H55N/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-23-26-27(24-21-8-5-2)25-22-9-6-3/h4-26H2,1-3H3
InChIKeyWCTLNLPQLPNCLH-UHFFFAOYSA-N
XLogP9.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.73
LogP ≤ 59.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dipentylpentadecan-1-amine
CID 139722952
N,N-didodecyltridecan-1-amine
CID 87212898
N,N-dioctyloctan-1-amine
CID 14227
N,N-dihexyloctan-1-amine
CID 21418080
N-docosyl-N-icosyldocosan-1-amine
CID 23464225
N,N,N',N'-tetra(undecyl)pentane-1,5-diamine
CID 152635971
N-pentadecyl-N-pentylpentadecan-1-amine
CID 139722928
N-heptadecyl-N-heptylheptadecan-1-amine
CID 139722683
N,N-didecyltridecan-1-amine
CID 139723202
N,N-dipentyltridecan-1-amine
CID 139723521
N,N'-didodecyl-N,N'-dioctylhexane-1,6-diamine
CID 154294870
N,N-dioctadecyloctadecan-1-amine;hydrochloride
CID 45050162

Frequently Asked Questions

What is the IUPAC name of N,N-dipentylhexadecan-1-amine?
The IUPAC name of N,N-dipentylhexadecan-1-amine (CID 139723811) is N,N-dipentylhexadecan-1-amine.
What is the SMILES notation for N,N-dipentylhexadecan-1-amine?
The canonical SMILES for N,N-dipentylhexadecan-1-amine is CCCCCCCCCCCCCCCCN(CCCCC)CCCCC.
What is the InChIKey of N,N-dipentylhexadecan-1-amine?
The InChIKey is WCTLNLPQLPNCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H55N/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-23-26-27(24-21-8-5-2)25-22-9-6-3/h4-26H2,1-3H3.
What are the key properties of N,N-dipentylhexadecan-1-amine?
N,N-dipentylhexadecan-1-amine has a molecular weight of 381.73 g/mol, XLogP of 9.15, 23 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipentylhexadecan-1-amine is sourced from PubChem (CID 139723811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).