N-heptadecyl-N-heptylheptadecan-1-amine

C41H85N — CID 139722683

IUPACN-heptadecyl-N-heptylheptadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCN(CCCCCCC)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C41H85N/c1-4-7-10-13-15-17-19-21-23-25-27-29-31-34-37-40-42(39-36-33-12-9-6-3)41-38-35-32-30-28-26-24-22-20-18-16-14-11-8-5-2/h4-41H2,1-3H3
InChIKeyZMWODUBCQHXKMH-UHFFFAOYSA-N
MW592.14 g/mol
LogP15.00
Rot. Bonds38

About N-heptadecyl-N-heptylheptadecan-1-amine

N-heptadecyl-N-heptylheptadecan-1-amine (PubChem CID 139722683) has the molecular formula C41H85N and a molecular weight of 592.14 g/mol. Its IUPAC name is N-heptadecyl-N-heptylheptadecan-1-amine.

Molecular Properties

Compound NameN-heptadecyl-N-heptylheptadecan-1-amine
PubChem CID139722683
Molecular FormulaC41H85N
Molecular Weight592.14 g/mol
Exact Mass591.67
IUPAC NameN-heptadecyl-N-heptylheptadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCN(CCCCCCC)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C41H85N/c1-4-7-10-13-15-17-19-21-23-25-27-29-31-34-37-40-42(39-36-33-12-9-6-3)41-38-35-32-30-28-26-24-22-20-18-16-14-11-8-5-2/h4-41H2,1-3H3
InChIKeyZMWODUBCQHXKMH-UHFFFAOYSA-N
XLogP15.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds38
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.14
LogP ≤ 515.00
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,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-heptadecyl-N-heptylheptadecan-1-amine?
The IUPAC name of N-heptadecyl-N-heptylheptadecan-1-amine (CID 139722683) is N-heptadecyl-N-heptylheptadecan-1-amine.
What is the SMILES notation for N-heptadecyl-N-heptylheptadecan-1-amine?
The canonical SMILES for N-heptadecyl-N-heptylheptadecan-1-amine is CCCCCCCCCCCCCCCCCN(CCCCCCC)CCCCCCCCCCCCCCCCC.
What is the InChIKey of N-heptadecyl-N-heptylheptadecan-1-amine?
The InChIKey is ZMWODUBCQHXKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H85N/c1-4-7-10-13-15-17-19-21-23-25-27-29-31-34-37-40-42(39-36-33-12-9-6-3)41-38-35-32-30-28-26-24-22-20-18-16-14-11-8-5-2/h4-41H2,1-3H3.
What are the key properties of N-heptadecyl-N-heptylheptadecan-1-amine?
N-heptadecyl-N-heptylheptadecan-1-amine has a molecular weight of 592.14 g/mol, XLogP of 15.00, 38 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptadecyl-N-heptylheptadecan-1-amine is sourced from PubChem (CID 139722683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).