1,7,7-trimethyl-N-[3-(2-methylpropyl)cyclohexyl]bicyclo[2.2.1]heptan-2-amine

C20H37N — CID 107428120

IUPAC1,7,7-trimethyl-N-[3-(2-methylpropyl)cyclohexyl]bicyclo[2.2.1]heptan-2-amine
SMILESCC(C)CC1CCCC(NC2CC3CCC2(C)C3(C)C)C1
InChIInChI=1S/C20H37N/c1-14(2)11-15-7-6-8-17(12-15)21-18-13-16-9-10-20(18,5)19(16,3)4/h14-18,21H,6-13H2,1-5H3
InChIKeyBDHFCAYBQJCXMD-UHFFFAOYSA-N
MW291.52 g/mol
LogP5.40
Rot. Bonds4

About 1,7,7-trimethyl-N-[3-(2-methylpropyl)cyclohexyl]bicyclo[2.2.1]heptan-2-amine

1,7,7-trimethyl-N-[3-(2-methylpropyl)cyclohexyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 107428120) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is 1,7,7-trimethyl-N-[3-(2-methylpropyl)cyclohexyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name1,7,7-trimethyl-N-[3-(2-methylpropyl)cyclohexyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID107428120
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC Name1,7,7-trimethyl-N-[3-(2-methylpropyl)cyclohexyl]bicyclo[2.2.1]heptan-2-amine
SMILESCC(C)CC1CCCC(NC2CC3CCC2(C)C3(C)C)C1
InChIInChI=1S/C20H37N/c1-14(2)11-15-7-6-8-17(12-15)21-18-13-16-9-10-20(18,5)19(16,3)4/h14-18,21H,6-13H2,1-5H3
InChIKeyBDHFCAYBQJCXMD-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-N-[3-(2-methylpropyl)cyclohexyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 1,7,7-trimethyl-N-[3-(2-methylpropyl)cyclohexyl]bicyclo[2.2.1]heptan-2-amine (CID 107428120) is 1,7,7-trimethyl-N-[3-(2-methylpropyl)cyclohexyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 1,7,7-trimethyl-N-[3-(2-methylpropyl)cyclohexyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 1,7,7-trimethyl-N-[3-(2-methylpropyl)cyclohexyl]bicyclo[2.2.1]heptan-2-amine is CC(C)CC1CCCC(NC2CC3CCC2(C)C3(C)C)C1.
What is the InChIKey of 1,7,7-trimethyl-N-[3-(2-methylpropyl)cyclohexyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is BDHFCAYBQJCXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N/c1-14(2)11-15-7-6-8-17(12-15)21-18-13-16-9-10-20(18,5)19(16,3)4/h14-18,21H,6-13H2,1-5H3.
What are the key properties of 1,7,7-trimethyl-N-[3-(2-methylpropyl)cyclohexyl]bicyclo[2.2.1]heptan-2-amine?
1,7,7-trimethyl-N-[3-(2-methylpropyl)cyclohexyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 291.52 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-N-[3-(2-methylpropyl)cyclohexyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 107428120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).