1-(3,4-dimethylcyclohexyl)-4-propylcycloheptan-1-amine

C18H35N — CID 65086896

IUPAC1-(3,4-dimethylcyclohexyl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(N)(C2CCC(C)C(C)C2)CC1
InChIInChI=1S/C18H35N/c1-4-6-16-7-5-11-18(19,12-10-16)17-9-8-14(2)15(3)13-17/h14-17H,4-13,19H2,1-3H3
InChIKeyQCWRFNCTIUXPPU-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.14
Rot. Bonds3

About 1-(3,4-dimethylcyclohexyl)-4-propylcycloheptan-1-amine

1-(3,4-dimethylcyclohexyl)-4-propylcycloheptan-1-amine (PubChem CID 65086896) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-4-propylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-4-propylcycloheptan-1-amine
PubChem CID65086896
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name1-(3,4-dimethylcyclohexyl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(N)(C2CCC(C)C(C)C2)CC1
InChIInChI=1S/C18H35N/c1-4-6-16-7-5-11-18(19,12-10-16)17-9-8-14(2)15(3)13-17/h14-17H,4-13,19H2,1-3H3
InChIKeyQCWRFNCTIUXPPU-UHFFFAOYSA-N
XLogP5.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-4-propylcycloheptan-1-amine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-4-propylcycloheptan-1-amine (CID 65086896) is 1-(3,4-dimethylcyclohexyl)-4-propylcycloheptan-1-amine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-4-propylcycloheptan-1-amine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-4-propylcycloheptan-1-amine is CCCC1CCCC(N)(C2CCC(C)C(C)C2)CC1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-4-propylcycloheptan-1-amine?
The InChIKey is QCWRFNCTIUXPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-4-6-16-7-5-11-18(19,12-10-16)17-9-8-14(2)15(3)13-17/h14-17H,4-13,19H2,1-3H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-4-propylcycloheptan-1-amine?
1-(3,4-dimethylcyclohexyl)-4-propylcycloheptan-1-amine has a molecular weight of 265.48 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-4-propylcycloheptan-1-amine is sourced from PubChem (CID 65086896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).