N-pentadecyl-N-pentylpentadecan-1-amine

C35H73N — CID 139722928

IUPACN-pentadecyl-N-pentylpentadecan-1-amine
SMILESCCCCCCCCCCCCCCCN(CCCCC)CCCCCCCCCCCCCCC
InChIInChI=1S/C35H73N/c1-4-7-10-12-14-16-18-20-22-24-26-28-31-34-36(33-30-9-6-3)35-32-29-27-25-23-21-19-17-15-13-11-8-5-2/h4-35H2,1-3H3
InChIKeyQHUVTNHIPVLMKE-UHFFFAOYSA-N
MW507.98 g/mol
LogP12.66
Rot. Bonds32

About N-pentadecyl-N-pentylpentadecan-1-amine

N-pentadecyl-N-pentylpentadecan-1-amine (PubChem CID 139722928) has the molecular formula C35H73N and a molecular weight of 507.98 g/mol. Its IUPAC name is N-pentadecyl-N-pentylpentadecan-1-amine.

Molecular Properties

Compound NameN-pentadecyl-N-pentylpentadecan-1-amine
PubChem CID139722928
Molecular FormulaC35H73N
Molecular Weight507.98 g/mol
Exact Mass507.57
IUPAC NameN-pentadecyl-N-pentylpentadecan-1-amine
SMILESCCCCCCCCCCCCCCCN(CCCCC)CCCCCCCCCCCCCCC
InChIInChI=1S/C35H73N/c1-4-7-10-12-14-16-18-20-22-24-26-28-31-34-36(33-30-9-6-3)35-32-29-27-25-23-21-19-17-15-13-11-8-5-2/h4-35H2,1-3H3
InChIKeyQHUVTNHIPVLMKE-UHFFFAOYSA-N
XLogP12.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds32
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.98
LogP ≤ 512.66
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-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-dioctyloctan-1-amine;silane
CID 174796791

Frequently Asked Questions

What is the IUPAC name of N-pentadecyl-N-pentylpentadecan-1-amine?
The IUPAC name of N-pentadecyl-N-pentylpentadecan-1-amine (CID 139722928) is N-pentadecyl-N-pentylpentadecan-1-amine.
What is the SMILES notation for N-pentadecyl-N-pentylpentadecan-1-amine?
The canonical SMILES for N-pentadecyl-N-pentylpentadecan-1-amine is CCCCCCCCCCCCCCCN(CCCCC)CCCCCCCCCCCCCCC.
What is the InChIKey of N-pentadecyl-N-pentylpentadecan-1-amine?
The InChIKey is QHUVTNHIPVLMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H73N/c1-4-7-10-12-14-16-18-20-22-24-26-28-31-34-36(33-30-9-6-3)35-32-29-27-25-23-21-19-17-15-13-11-8-5-2/h4-35H2,1-3H3.
What are the key properties of N-pentadecyl-N-pentylpentadecan-1-amine?
N-pentadecyl-N-pentylpentadecan-1-amine has a molecular weight of 507.98 g/mol, XLogP of 12.66, 32 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentadecyl-N-pentylpentadecan-1-amine is sourced from PubChem (CID 139722928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).