(2,3-dihexyl-6-nonylcyclohexyl)methanamine

C28H57N — CID 161402447

IUPAC(2,3-dihexyl-6-nonylcyclohexyl)methanamine
SMILESCCCCCCCCCC1CCC(CCCCCC)C(CCCCCC)C1CN
InChIInChI=1S/C28H57N/c1-4-7-10-13-14-15-17-20-26-23-22-25(19-16-11-8-5-2)27(28(26)24-29)21-18-12-9-6-3/h25-28H,4-24,29H2,1-3H3
InChIKeyUXXWRURAIFLGOJ-UHFFFAOYSA-N
MW407.77 g/mol
LogP9.29
Rot. Bonds19

About (2,3-dihexyl-6-nonylcyclohexyl)methanamine

(2,3-dihexyl-6-nonylcyclohexyl)methanamine (PubChem CID 161402447) has the molecular formula C28H57N and a molecular weight of 407.77 g/mol. Its IUPAC name is (2,3-dihexyl-6-nonylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2,3-dihexyl-6-nonylcyclohexyl)methanamine
PubChem CID161402447
Molecular FormulaC28H57N
Molecular Weight407.77 g/mol
Exact Mass407.45
IUPAC Name(2,3-dihexyl-6-nonylcyclohexyl)methanamine
SMILESCCCCCCCCCC1CCC(CCCCCC)C(CCCCCC)C1CN
InChIInChI=1S/C28H57N/c1-4-7-10-13-14-15-17-20-26-23-22-25(19-16-11-8-5-2)27(28(26)24-29)21-18-12-9-6-3/h25-28H,4-24,29H2,1-3H3
InChIKeyUXXWRURAIFLGOJ-UHFFFAOYSA-N
XLogP9.29
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 ≤ 59.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2,3-dihexyl-6-nonylcyclohexyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[2-(8-aminooctyl)-3,4-dioctylcyclohexyl]octan-1-amine
CID 156680959
hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;1-hexyl-2,3,4-trioctylcyclohexane
CID 158828097
7-(2-amino-5-hexylcyclopentyl)heptan-1-ol
CID 23220320
8-[3-(7-carboxyheptyl)-4-hexyl-2-octylcyclohexyl]octanoic acid
CID 58224535
1-octyl-2-pentylcyclopentane
CID 170668279
1,2-diheptylcyclopentane
CID 102061720
1-heptyl-2-pentylcyclopentane
CID 102061725
1-hexyl-3,4-bis(8-isocyanatooctyl)-2-octylcyclohexane
CID 18533272
(1R,2R,3S,4S)-3-heptyl-1,2-bis(9-isocyanatononyl)-4-pentylcyclohexane
CID 98048681
8-[3-(7-carboxyheptyl)-2-heptyl-4-hexylcyclohexyl]octanoic acid;methanediol
CID 91189495
3-ethyl-1-hexyl-4-methyl-2-propylcyclohexane
CID 123913316
(4-ethyl-2-octylcyclohexyl)methanamine
CID 81012449

Frequently Asked Questions

What is the IUPAC name of (2,3-dihexyl-6-nonylcyclohexyl)methanamine?
The IUPAC name of (2,3-dihexyl-6-nonylcyclohexyl)methanamine (CID 161402447) is (2,3-dihexyl-6-nonylcyclohexyl)methanamine.
What is the SMILES notation for (2,3-dihexyl-6-nonylcyclohexyl)methanamine?
The canonical SMILES for (2,3-dihexyl-6-nonylcyclohexyl)methanamine is CCCCCCCCCC1CCC(CCCCCC)C(CCCCCC)C1CN.
What is the InChIKey of (2,3-dihexyl-6-nonylcyclohexyl)methanamine?
The InChIKey is UXXWRURAIFLGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H57N/c1-4-7-10-13-14-15-17-20-26-23-22-25(19-16-11-8-5-2)27(28(26)24-29)21-18-12-9-6-3/h25-28H,4-24,29H2,1-3H3.
What are the key properties of (2,3-dihexyl-6-nonylcyclohexyl)methanamine?
(2,3-dihexyl-6-nonylcyclohexyl)methanamine has a molecular weight of 407.77 g/mol, XLogP of 9.29, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dihexyl-6-nonylcyclohexyl)methanamine is sourced from PubChem (CID 161402447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).