N-(3,4-dimethylcyclohexyl)-4-propan-2-ylcycloheptan-1-amine

C18H35N — CID 65091389

IUPACN-(3,4-dimethylcyclohexyl)-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(NC2CCC(C)C(C)C2)CC1
InChIInChI=1S/C18H35N/c1-13(2)16-6-5-7-17(11-9-16)19-18-10-8-14(3)15(4)12-18/h13-19H,5-12H2,1-4H3
InChIKeyPMAIQDYTXXZFFX-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.01
Rot. Bonds3

About N-(3,4-dimethylcyclohexyl)-4-propan-2-ylcycloheptan-1-amine

N-(3,4-dimethylcyclohexyl)-4-propan-2-ylcycloheptan-1-amine (PubChem CID 65091389) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-4-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-4-propan-2-ylcycloheptan-1-amine
PubChem CID65091389
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC NameN-(3,4-dimethylcyclohexyl)-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(NC2CCC(C)C(C)C2)CC1
InChIInChI=1S/C18H35N/c1-13(2)16-6-5-7-17(11-9-16)19-18-10-8-14(3)15(4)12-18/h13-19H,5-12H2,1-4H3
InChIKeyPMAIQDYTXXZFFX-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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 N-(3,4-dimethylcyclohexyl)-4-propan-2-ylcycloheptan-1-amine?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-4-propan-2-ylcycloheptan-1-amine (CID 65091389) is N-(3,4-dimethylcyclohexyl)-4-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-4-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-4-propan-2-ylcycloheptan-1-amine is CC(C)C1CCCC(NC2CCC(C)C(C)C2)CC1.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-4-propan-2-ylcycloheptan-1-amine?
The InChIKey is PMAIQDYTXXZFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-13(2)16-6-5-7-17(11-9-16)19-18-10-8-14(3)15(4)12-18/h13-19H,5-12H2,1-4H3.
What are the key properties of N-(3,4-dimethylcyclohexyl)-4-propan-2-ylcycloheptan-1-amine?
N-(3,4-dimethylcyclohexyl)-4-propan-2-ylcycloheptan-1-amine has a molecular weight of 265.48 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-4-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 65091389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).