N-dodecyl-N-propan-2-yltetradecan-1-amine

C29H61N — CID 87516029

IUPACN-dodecyl-N-propan-2-yltetradecan-1-amine
SMILESCCCCCCCCCCCCCCN(CCCCCCCCCCCC)C(C)C
InChIInChI=1S/C29H61N/c1-5-7-9-11-13-15-17-18-20-22-24-26-28-30(29(3)4)27-25-23-21-19-16-14-12-10-8-6-2/h29H,5-28H2,1-4H3
InChIKeyBWYPNICJOVXCSZ-UHFFFAOYSA-N
MW423.81 g/mol
LogP10.32
Rot. Bonds25

About N-dodecyl-N-propan-2-yltetradecan-1-amine

N-dodecyl-N-propan-2-yltetradecan-1-amine (PubChem CID 87516029) has the molecular formula C29H61N and a molecular weight of 423.81 g/mol. Its IUPAC name is N-dodecyl-N-propan-2-yltetradecan-1-amine.

Molecular Properties

Compound NameN-dodecyl-N-propan-2-yltetradecan-1-amine
PubChem CID87516029
Molecular FormulaC29H61N
Molecular Weight423.81 g/mol
Exact Mass423.48
IUPAC NameN-dodecyl-N-propan-2-yltetradecan-1-amine
SMILESCCCCCCCCCCCCCCN(CCCCCCCCCCCC)C(C)C
InChIInChI=1S/C29H61N/c1-5-7-9-11-13-15-17-18-20-22-24-26-28-30(29(3)4)27-25-23-21-19-16-14-12-10-8-6-2/h29H,5-28H2,1-4H3
InChIKeyBWYPNICJOVXCSZ-UHFFFAOYSA-N
XLogP10.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds25
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.81
LogP ≤ 510.32
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-(3-chloropropyl)-N-propan-2-yldecan-1-amine
CID 55183302
N-butyl-N-propan-2-ylbutan-1-amine;hydrochloride
CID 173040344
N-butyl-N-propan-2-ylbutan-1-amine;ethane
CID 143004745
N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine
CID 59980738
5-[pentyl(propan-2-yl)amino]pentanenitrile
CID 55208074
4-[octyl(propan-2-yl)amino]butanoic acid
CID 60833622
N-(2-methylpropyl)-N'-pentyl-N'-propan-2-ylpentane-1,5-diamine
CID 62462345
N-octyl-N-(1-phosphanylethyl)octan-1-amine
CID 21437049
6-chloro-N-propan-2-yl-N-propylhexan-1-amine
CID 62227256
3-methyl-1-N-pentyl-1-N-propan-2-ylbutane-1,3-diamine
CID 64681832
N,N-di(propan-2-yl)heptadecan-1-amine
CID 138744995
4,4-dimethyl-1-[pentyl(propan-2-yl)amino]pentan-3-ol
CID 62624462

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-N-propan-2-yltetradecan-1-amine?
The IUPAC name of N-dodecyl-N-propan-2-yltetradecan-1-amine (CID 87516029) is N-dodecyl-N-propan-2-yltetradecan-1-amine.
What is the SMILES notation for N-dodecyl-N-propan-2-yltetradecan-1-amine?
The canonical SMILES for N-dodecyl-N-propan-2-yltetradecan-1-amine is CCCCCCCCCCCCCCN(CCCCCCCCCCCC)C(C)C.
What is the InChIKey of N-dodecyl-N-propan-2-yltetradecan-1-amine?
The InChIKey is BWYPNICJOVXCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H61N/c1-5-7-9-11-13-15-17-18-20-22-24-26-28-30(29(3)4)27-25-23-21-19-16-14-12-10-8-6-2/h29H,5-28H2,1-4H3.
What are the key properties of N-dodecyl-N-propan-2-yltetradecan-1-amine?
N-dodecyl-N-propan-2-yltetradecan-1-amine has a molecular weight of 423.81 g/mol, XLogP of 10.32, 25 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-N-propan-2-yltetradecan-1-amine is sourced from PubChem (CID 87516029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).