(4-tert-butylcyclohexyl)-(3,5-dimethylcyclohexyl)methanamine

C19H37N — CID 65402362

IUPAC(4-tert-butylcyclohexyl)-(3,5-dimethylcyclohexyl)methanamine
SMILESCC1CC(C)CC(C(N)C2CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C19H37N/c1-13-10-14(2)12-16(11-13)18(20)15-6-8-17(9-7-15)19(3,4)5/h13-18H,6-12,20H2,1-5H3
InChIKeyKYTNTZIESIFJJY-UHFFFAOYSA-N
MW279.51 g/mol
LogP5.24
Rot. Bonds2

About (4-tert-butylcyclohexyl)-(3,5-dimethylcyclohexyl)methanamine

(4-tert-butylcyclohexyl)-(3,5-dimethylcyclohexyl)methanamine (PubChem CID 65402362) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl)-(3,5-dimethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl)-(3,5-dimethylcyclohexyl)methanamine
PubChem CID65402362
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC Name(4-tert-butylcyclohexyl)-(3,5-dimethylcyclohexyl)methanamine
SMILESCC1CC(C)CC(C(N)C2CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C19H37N/c1-13-10-14(2)12-16(11-13)18(20)15-6-8-17(9-7-15)19(3,4)5/h13-18H,6-12,20H2,1-5H3
InChIKeyKYTNTZIESIFJJY-UHFFFAOYSA-N
XLogP5.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl)-(3,5-dimethylcyclohexyl)methanamine?
The IUPAC name of (4-tert-butylcyclohexyl)-(3,5-dimethylcyclohexyl)methanamine (CID 65402362) is (4-tert-butylcyclohexyl)-(3,5-dimethylcyclohexyl)methanamine.
What is the SMILES notation for (4-tert-butylcyclohexyl)-(3,5-dimethylcyclohexyl)methanamine?
The canonical SMILES for (4-tert-butylcyclohexyl)-(3,5-dimethylcyclohexyl)methanamine is CC1CC(C)CC(C(N)C2CCC(C(C)(C)C)CC2)C1.
What is the InChIKey of (4-tert-butylcyclohexyl)-(3,5-dimethylcyclohexyl)methanamine?
The InChIKey is KYTNTZIESIFJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-13-10-14(2)12-16(11-13)18(20)15-6-8-17(9-7-15)19(3,4)5/h13-18H,6-12,20H2,1-5H3.
What are the key properties of (4-tert-butylcyclohexyl)-(3,5-dimethylcyclohexyl)methanamine?
(4-tert-butylcyclohexyl)-(3,5-dimethylcyclohexyl)methanamine has a molecular weight of 279.51 g/mol, XLogP of 5.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl)-(3,5-dimethylcyclohexyl)methanamine is sourced from PubChem (CID 65402362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).