N-[(2-cycloheptyl-4-methylcyclohexyl)methyl]-2-methylpropan-1-amine

C19H37N — CID 82935826

IUPACN-[(2-cycloheptyl-4-methylcyclohexyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCC(C)CC1C1CCCCCC1
InChIInChI=1S/C19H37N/c1-15(2)13-20-14-18-11-10-16(3)12-19(18)17-8-6-4-5-7-9-17/h15-20H,4-14H2,1-3H3
InChIKeyGCSKKHITGSLHQI-UHFFFAOYSA-N
MW279.51 g/mol
LogP5.25
Rot. Bonds5

About N-[(2-cycloheptyl-4-methylcyclohexyl)methyl]-2-methylpropan-1-amine

N-[(2-cycloheptyl-4-methylcyclohexyl)methyl]-2-methylpropan-1-amine (PubChem CID 82935826) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is N-[(2-cycloheptyl-4-methylcyclohexyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-cycloheptyl-4-methylcyclohexyl)methyl]-2-methylpropan-1-amine
PubChem CID82935826
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC NameN-[(2-cycloheptyl-4-methylcyclohexyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCC(C)CC1C1CCCCCC1
InChIInChI=1S/C19H37N/c1-15(2)13-20-14-18-11-10-16(3)12-19(18)17-8-6-4-5-7-9-17/h15-20H,4-14H2,1-3H3
InChIKeyGCSKKHITGSLHQI-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cycloheptyl-4-methylcyclohexyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(2-cycloheptyl-4-methylcyclohexyl)methyl]-2-methylpropan-1-amine (CID 82935826) is N-[(2-cycloheptyl-4-methylcyclohexyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(2-cycloheptyl-4-methylcyclohexyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(2-cycloheptyl-4-methylcyclohexyl)methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCC(C)CC1C1CCCCCC1.
What is the InChIKey of N-[(2-cycloheptyl-4-methylcyclohexyl)methyl]-2-methylpropan-1-amine?
The InChIKey is GCSKKHITGSLHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-15(2)13-20-14-18-11-10-16(3)12-19(18)17-8-6-4-5-7-9-17/h15-20H,4-14H2,1-3H3.
What are the key properties of N-[(2-cycloheptyl-4-methylcyclohexyl)methyl]-2-methylpropan-1-amine?
N-[(2-cycloheptyl-4-methylcyclohexyl)methyl]-2-methylpropan-1-amine has a molecular weight of 279.51 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cycloheptyl-4-methylcyclohexyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 82935826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).