2-methyl-N-[(2-pentyl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine

C19H39N — CID 81030526

IUPAC2-methyl-N-[(2-pentyl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine
SMILESCCCCCC1CC(C(C)C)CCC1CNCC(C)C
InChIInChI=1S/C19H39N/c1-6-7-8-9-18-12-17(16(4)5)10-11-19(18)14-20-13-15(2)3/h15-20H,6-14H2,1-5H3
InChIKeyYZXGNFPQZXSQLJ-UHFFFAOYSA-N
MW281.53 g/mol
LogP5.50
Rot. Bonds9

About 2-methyl-N-[(2-pentyl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine

2-methyl-N-[(2-pentyl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine (PubChem CID 81030526) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is 2-methyl-N-[(2-pentyl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-pentyl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine
PubChem CID81030526
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC Name2-methyl-N-[(2-pentyl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine
SMILESCCCCCC1CC(C(C)C)CCC1CNCC(C)C
InChIInChI=1S/C19H39N/c1-6-7-8-9-18-12-17(16(4)5)10-11-19(18)14-20-13-15(2)3/h15-20H,6-14H2,1-5H3
InChIKeyYZXGNFPQZXSQLJ-UHFFFAOYSA-N
XLogP5.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 55.50
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-[(2-hexyl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine
CID 81030673
N-[(2-butyl-4-ethylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 81029219
ethane;N-[(2-hexylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 142903578
2-methyl-N-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine
CID 107889423
N-[(2-pent-4-ynyl-4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 113374690
N-methyl-1-(4-propan-2-yl-2-propylcyclohexyl)methanamine
CID 81028967
2-decyl-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63401640
N-[[2-(2-methylpropyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 81029701
N-[[2-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 81030002
1-[2-(4-methoxybutyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine
CID 113437285
N-[(2-but-3-ynyl-4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 81030000
N-[[2-(3-methylbut-3-enyl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 114477770

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-pentyl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(2-pentyl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine (CID 81030526) is 2-methyl-N-[(2-pentyl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(2-pentyl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(2-pentyl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine is CCCCCC1CC(C(C)C)CCC1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[(2-pentyl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine?
The InChIKey is YZXGNFPQZXSQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-6-7-8-9-18-12-17(16(4)5)10-11-19(18)14-20-13-15(2)3/h15-20H,6-14H2,1-5H3.
What are the key properties of 2-methyl-N-[(2-pentyl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine?
2-methyl-N-[(2-pentyl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine has a molecular weight of 281.53 g/mol, XLogP of 5.50, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-pentyl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 81030526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).