2-propan-2-yl-N-(2-propan-2-ylcyclohexyl)cyclohexan-1-amine

C18H35N — CID 50986555

IUPAC2-propan-2-yl-N-(2-propan-2-ylcyclohexyl)cyclohexan-1-amine
SMILESCC(C)C1CCCCC1NC1CCCCC1C(C)C
InChIInChI=1S/C18H35N/c1-13(2)15-9-5-7-11-17(15)19-18-12-8-6-10-16(18)14(3)4/h13-19H,5-12H2,1-4H3
InChIKeyLDFZMJRVNWWMIX-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.01
Rot. Bonds4

About 2-propan-2-yl-N-(2-propan-2-ylcyclohexyl)cyclohexan-1-amine

2-propan-2-yl-N-(2-propan-2-ylcyclohexyl)cyclohexan-1-amine (PubChem CID 50986555) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is 2-propan-2-yl-N-(2-propan-2-ylcyclohexyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-propan-2-yl-N-(2-propan-2-ylcyclohexyl)cyclohexan-1-amine
PubChem CID50986555
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name2-propan-2-yl-N-(2-propan-2-ylcyclohexyl)cyclohexan-1-amine
SMILESCC(C)C1CCCCC1NC1CCCCC1C(C)C
InChIInChI=1S/C18H35N/c1-13(2)15-9-5-7-11-17(15)19-18-12-8-6-10-16(18)14(3)4/h13-19H,5-12H2,1-4H3
InChIKeyLDFZMJRVNWWMIX-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-(2-propan-2-ylcyclohexyl)cyclohexan-1-amine?
The IUPAC name of 2-propan-2-yl-N-(2-propan-2-ylcyclohexyl)cyclohexan-1-amine (CID 50986555) is 2-propan-2-yl-N-(2-propan-2-ylcyclohexyl)cyclohexan-1-amine.
What is the SMILES notation for 2-propan-2-yl-N-(2-propan-2-ylcyclohexyl)cyclohexan-1-amine?
The canonical SMILES for 2-propan-2-yl-N-(2-propan-2-ylcyclohexyl)cyclohexan-1-amine is CC(C)C1CCCCC1NC1CCCCC1C(C)C.
What is the InChIKey of 2-propan-2-yl-N-(2-propan-2-ylcyclohexyl)cyclohexan-1-amine?
The InChIKey is LDFZMJRVNWWMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-13(2)15-9-5-7-11-17(15)19-18-12-8-6-10-16(18)14(3)4/h13-19H,5-12H2,1-4H3.
What are the key properties of 2-propan-2-yl-N-(2-propan-2-ylcyclohexyl)cyclohexan-1-amine?
2-propan-2-yl-N-(2-propan-2-ylcyclohexyl)cyclohexan-1-amine has a molecular weight of 265.48 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-(2-propan-2-ylcyclohexyl)cyclohexan-1-amine is sourced from PubChem (CID 50986555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).