1-(1,2-dipropylcyclohexyl)hexadecan-1-amine

C28H57N — CID 19862394

IUPAC1-(1,2-dipropylcyclohexyl)hexadecan-1-amine
SMILESCCCCCCCCCCCCCCCC(N)C1(CCC)CCCCC1CCC
InChIInChI=1S/C28H57N/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-23-27(29)28(24-6-3)25-20-19-22-26(28)21-5-2/h26-27H,4-25,29H2,1-3H3
InChIKeyDXLMGCXWMQLXEG-UHFFFAOYSA-N
MW407.77 g/mol
LogP9.57
Rot. Bonds19

About 1-(1,2-dipropylcyclohexyl)hexadecan-1-amine

1-(1,2-dipropylcyclohexyl)hexadecan-1-amine (PubChem CID 19862394) has the molecular formula C28H57N and a molecular weight of 407.77 g/mol. Its IUPAC name is 1-(1,2-dipropylcyclohexyl)hexadecan-1-amine.

Molecular Properties

Compound Name1-(1,2-dipropylcyclohexyl)hexadecan-1-amine
PubChem CID19862394
Molecular FormulaC28H57N
Molecular Weight407.77 g/mol
Exact Mass407.45
IUPAC Name1-(1,2-dipropylcyclohexyl)hexadecan-1-amine
SMILESCCCCCCCCCCCCCCCC(N)C1(CCC)CCCCC1CCC
InChIInChI=1S/C28H57N/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-23-27(29)28(24-6-3)25-20-19-22-26(28)21-5-2/h26-27H,4-25,29H2,1-3H3
InChIKeyDXLMGCXWMQLXEG-UHFFFAOYSA-N
XLogP9.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.77
LogP ≤ 59.57
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

1-(1,2-dipropylcyclohexyl)octan-1-amine;hydrochloride
CID 173360909
1-(1,2-diethylcyclohexyl)dodecan-1-amine;hydrate
CID 173347592
1-(1,2-dimethylcyclohexyl)octadecan-1-amine;hydrate
CID 173347231
1-(1-aminooctyl)-N,N-dimethylcyclopentan-1-amine
CID 79067548
1-(1-methoxycyclopentyl)heptan-1-amine
CID 104610578
2-heptyl-1,1-dimethylcycloundecane
CID 174977900
1-butyl-2-methyl-1-octan-2-ylcyclohexane
CID 163529838
1-(1-methoxycyclohexyl)undecan-1-amine
CID 116762708
1-(1-piperidin-1-ylcyclopentyl)heptan-1-amine
CID 79057989
4-octylspiro[4.5]decane
CID 139968258
1-cyclopentylundecan-3-amine
CID 115835660
1-(1-methoxycyclopentyl)hexan-1-amine
CID 104610613

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dipropylcyclohexyl)hexadecan-1-amine?
The IUPAC name of 1-(1,2-dipropylcyclohexyl)hexadecan-1-amine (CID 19862394) is 1-(1,2-dipropylcyclohexyl)hexadecan-1-amine.
What is the SMILES notation for 1-(1,2-dipropylcyclohexyl)hexadecan-1-amine?
The canonical SMILES for 1-(1,2-dipropylcyclohexyl)hexadecan-1-amine is CCCCCCCCCCCCCCCC(N)C1(CCC)CCCCC1CCC.
What is the InChIKey of 1-(1,2-dipropylcyclohexyl)hexadecan-1-amine?
The InChIKey is DXLMGCXWMQLXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H57N/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-23-27(29)28(24-6-3)25-20-19-22-26(28)21-5-2/h26-27H,4-25,29H2,1-3H3.
What are the key properties of 1-(1,2-dipropylcyclohexyl)hexadecan-1-amine?
1-(1,2-dipropylcyclohexyl)hexadecan-1-amine has a molecular weight of 407.77 g/mol, XLogP of 9.57, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dipropylcyclohexyl)hexadecan-1-amine is sourced from PubChem (CID 19862394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).