N-(2-methyldodecan-3-yl)cyclohexanamine

C19H39N — CID 150788922

IUPACN-(2-methyldodecan-3-yl)cyclohexanamine
SMILESCCCCCCCCCC(NC1CCCCC1)C(C)C
InChIInChI=1S/C19H39N/c1-4-5-6-7-8-9-13-16-19(17(2)3)20-18-14-11-10-12-15-18/h17-20H,4-16H2,1-3H3
InChIKeyKDKWTQQEBRQVPT-UHFFFAOYSA-N
MW281.53 g/mol
LogP6.07
Rot. Bonds11

About N-(2-methyldodecan-3-yl)cyclohexanamine

N-(2-methyldodecan-3-yl)cyclohexanamine (PubChem CID 150788922) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is N-(2-methyldodecan-3-yl)cyclohexanamine.

Molecular Properties

Compound NameN-(2-methyldodecan-3-yl)cyclohexanamine
PubChem CID150788922
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC NameN-(2-methyldodecan-3-yl)cyclohexanamine
SMILESCCCCCCCCCC(NC1CCCCC1)C(C)C
InChIInChI=1S/C19H39N/c1-4-5-6-7-8-9-13-16-19(17(2)3)20-18-14-11-10-12-15-18/h17-20H,4-16H2,1-3H3
InChIKeyKDKWTQQEBRQVPT-UHFFFAOYSA-N
XLogP6.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 56.07
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methyldodecan-3-yl)cyclohexanamine?
The IUPAC name of N-(2-methyldodecan-3-yl)cyclohexanamine (CID 150788922) is N-(2-methyldodecan-3-yl)cyclohexanamine.
What is the SMILES notation for N-(2-methyldodecan-3-yl)cyclohexanamine?
The canonical SMILES for N-(2-methyldodecan-3-yl)cyclohexanamine is CCCCCCCCCC(NC1CCCCC1)C(C)C.
What is the InChIKey of N-(2-methyldodecan-3-yl)cyclohexanamine?
The InChIKey is KDKWTQQEBRQVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-4-5-6-7-8-9-13-16-19(17(2)3)20-18-14-11-10-12-15-18/h17-20H,4-16H2,1-3H3.
What are the key properties of N-(2-methyldodecan-3-yl)cyclohexanamine?
N-(2-methyldodecan-3-yl)cyclohexanamine has a molecular weight of 281.53 g/mol, XLogP of 6.07, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyldodecan-3-yl)cyclohexanamine is sourced from PubChem (CID 150788922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).