N,N-dipentyltridecan-1-amine

C23H49N — CID 139723521

IUPACN,N-dipentyltridecan-1-amine
SMILESCCCCCCCCCCCCCN(CCCCC)CCCCC
InChIInChI=1S/C23H49N/c1-4-7-10-11-12-13-14-15-16-17-20-23-24(21-18-8-5-2)22-19-9-6-3/h4-23H2,1-3H3
InChIKeyQBENQVGHGSDJPU-UHFFFAOYSA-N
MW339.65 g/mol
LogP7.98
Rot. Bonds20

About N,N-dipentyltridecan-1-amine

N,N-dipentyltridecan-1-amine (PubChem CID 139723521) has the molecular formula C23H49N and a molecular weight of 339.65 g/mol. Its IUPAC name is N,N-dipentyltridecan-1-amine.

Molecular Properties

Compound NameN,N-dipentyltridecan-1-amine
PubChem CID139723521
Molecular FormulaC23H49N
Molecular Weight339.65 g/mol
Exact Mass339.39
IUPAC NameN,N-dipentyltridecan-1-amine
SMILESCCCCCCCCCCCCCN(CCCCC)CCCCC
InChIInChI=1S/C23H49N/c1-4-7-10-11-12-13-14-15-16-17-20-23-24(21-18-8-5-2)22-19-9-6-3/h4-23H2,1-3H3
InChIKeyQBENQVGHGSDJPU-UHFFFAOYSA-N
XLogP7.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.65
LogP ≤ 57.98
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-dipentylhexadecan-1-amine
CID 139723811
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'-didodecyl-N,N'-dioctylhexane-1,6-diamine
CID 154294870
N,N-dioctyloctan-1-amine;silane
CID 174796791

Frequently Asked Questions

What is the IUPAC name of N,N-dipentyltridecan-1-amine?
The IUPAC name of N,N-dipentyltridecan-1-amine (CID 139723521) is N,N-dipentyltridecan-1-amine.
What is the SMILES notation for N,N-dipentyltridecan-1-amine?
The canonical SMILES for N,N-dipentyltridecan-1-amine is CCCCCCCCCCCCCN(CCCCC)CCCCC.
What is the InChIKey of N,N-dipentyltridecan-1-amine?
The InChIKey is QBENQVGHGSDJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49N/c1-4-7-10-11-12-13-14-15-16-17-20-23-24(21-18-8-5-2)22-19-9-6-3/h4-23H2,1-3H3.
What are the key properties of N,N-dipentyltridecan-1-amine?
N,N-dipentyltridecan-1-amine has a molecular weight of 339.65 g/mol, XLogP of 7.98, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipentyltridecan-1-amine is sourced from PubChem (CID 139723521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).