N-propan-2-ylheptadecan-5-amine

C20H43N — CID 79412665

IUPACN-propan-2-ylheptadecan-5-amine
SMILESCCCCCCCCCCCCC(CCCC)NC(C)C
InChIInChI=1S/C20H43N/c1-5-7-9-10-11-12-13-14-15-16-18-20(17-8-6-2)21-19(3)4/h19-21H,5-18H2,1-4H3
InChIKeyJGAUPAROKJKHGZ-UHFFFAOYSA-N
MW297.57 g/mol
LogP6.85
Rot. Bonds16

About N-propan-2-ylheptadecan-5-amine

N-propan-2-ylheptadecan-5-amine (PubChem CID 79412665) has the molecular formula C20H43N and a molecular weight of 297.57 g/mol. Its IUPAC name is N-propan-2-ylheptadecan-5-amine.

Molecular Properties

Compound NameN-propan-2-ylheptadecan-5-amine
PubChem CID79412665
Molecular FormulaC20H43N
Molecular Weight297.57 g/mol
Exact Mass297.34
IUPAC NameN-propan-2-ylheptadecan-5-amine
SMILESCCCCCCCCCCCCC(CCCC)NC(C)C
InChIInChI=1S/C20H43N/c1-5-7-9-10-11-12-13-14-15-16-18-20(17-8-6-2)21-19(3)4/h19-21H,5-18H2,1-4H3
InChIKeyJGAUPAROKJKHGZ-UHFFFAOYSA-N
XLogP6.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.57
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-yldodecan-5-amine
CID 79412905
N-propan-2-yltridecan-5-amine
CID 79413155
1-(decan-5-ylamino)ethanol
CID 174223267
2-N-propan-2-ylhexane-1,2-diamine
CID 62070850
N-nonan-5-ylnonan-5-amine
CID 86205180
3-methyl-N-propan-2-ylnonan-5-amine
CID 79413294
3-(1-hydroxyoctadecan-3-ylamino)octadecan-1-ol
CID 23169302
(2R)-2-(undecan-6-ylamino)propan-1-ol
CID 114987067
N-tetradecan-2-yltetradecan-2-amine
CID 20841578
1-phenyl-N-propan-2-ylheptan-3-amine
CID 13159413
N-heptan-4-ylheptan-2-amine
CID 43572732
N-(1-cyclopropylethyl)undecan-6-amine
CID 43776560

Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylheptadecan-5-amine?
The IUPAC name of N-propan-2-ylheptadecan-5-amine (CID 79412665) is N-propan-2-ylheptadecan-5-amine.
What is the SMILES notation for N-propan-2-ylheptadecan-5-amine?
The canonical SMILES for N-propan-2-ylheptadecan-5-amine is CCCCCCCCCCCCC(CCCC)NC(C)C.
What is the InChIKey of N-propan-2-ylheptadecan-5-amine?
The InChIKey is JGAUPAROKJKHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43N/c1-5-7-9-10-11-12-13-14-15-16-18-20(17-8-6-2)21-19(3)4/h19-21H,5-18H2,1-4H3.
What are the key properties of N-propan-2-ylheptadecan-5-amine?
N-propan-2-ylheptadecan-5-amine has a molecular weight of 297.57 g/mol, XLogP of 6.85, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylheptadecan-5-amine is sourced from PubChem (CID 79412665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).