(3,5-dimethylcyclohexyl)-(4-propylcyclohexyl)methanamine

C18H35N — CID 65424912

IUPAC(3,5-dimethylcyclohexyl)-(4-propylcyclohexyl)methanamine
SMILESCCCC1CCC(C(N)C2CC(C)CC(C)C2)CC1
InChIInChI=1S/C18H35N/c1-4-5-15-6-8-16(9-7-15)18(19)17-11-13(2)10-14(3)12-17/h13-18H,4-12,19H2,1-3H3
InChIKeyRIAAWFDIQJIXBO-UHFFFAOYSA-N
MW265.48 g/mol
LogP4.99
Rot. Bonds4

About (3,5-dimethylcyclohexyl)-(4-propylcyclohexyl)methanamine

(3,5-dimethylcyclohexyl)-(4-propylcyclohexyl)methanamine (PubChem CID 65424912) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is (3,5-dimethylcyclohexyl)-(4-propylcyclohexyl)methanamine.

Molecular Properties

Compound Name(3,5-dimethylcyclohexyl)-(4-propylcyclohexyl)methanamine
PubChem CID65424912
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name(3,5-dimethylcyclohexyl)-(4-propylcyclohexyl)methanamine
SMILESCCCC1CCC(C(N)C2CC(C)CC(C)C2)CC1
InChIInChI=1S/C18H35N/c1-4-5-15-6-8-16(9-7-15)18(19)17-11-13(2)10-14(3)12-17/h13-18H,4-12,19H2,1-3H3
InChIKeyRIAAWFDIQJIXBO-UHFFFAOYSA-N
XLogP4.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.48
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohexyl)-(4-propylcyclohexyl)methanamine?
The IUPAC name of (3,5-dimethylcyclohexyl)-(4-propylcyclohexyl)methanamine (CID 65424912) is (3,5-dimethylcyclohexyl)-(4-propylcyclohexyl)methanamine.
What is the SMILES notation for (3,5-dimethylcyclohexyl)-(4-propylcyclohexyl)methanamine?
The canonical SMILES for (3,5-dimethylcyclohexyl)-(4-propylcyclohexyl)methanamine is CCCC1CCC(C(N)C2CC(C)CC(C)C2)CC1.
What is the InChIKey of (3,5-dimethylcyclohexyl)-(4-propylcyclohexyl)methanamine?
The InChIKey is RIAAWFDIQJIXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-4-5-15-6-8-16(9-7-15)18(19)17-11-13(2)10-14(3)12-17/h13-18H,4-12,19H2,1-3H3.
What are the key properties of (3,5-dimethylcyclohexyl)-(4-propylcyclohexyl)methanamine?
(3,5-dimethylcyclohexyl)-(4-propylcyclohexyl)methanamine has a molecular weight of 265.48 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohexyl)-(4-propylcyclohexyl)methanamine is sourced from PubChem (CID 65424912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).