N-[cycloheptyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine

C19H37N — CID 65399657

IUPACN-[cycloheptyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(C1CCCCCC1)C1CCC(C)C(C)C1
InChIInChI=1S/C19H37N/c1-4-13-20-19(17-9-7-5-6-8-10-17)18-12-11-15(2)16(3)14-18/h15-20H,4-14H2,1-3H3
InChIKeyJCBUPOCNFOZXLF-UHFFFAOYSA-N
MW279.51 g/mol
LogP5.40
Rot. Bonds5

About N-[cycloheptyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine

N-[cycloheptyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine (PubChem CID 65399657) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is N-[cycloheptyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cycloheptyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine
PubChem CID65399657
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC NameN-[cycloheptyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(C1CCCCCC1)C1CCC(C)C(C)C1
InChIInChI=1S/C19H37N/c1-4-13-20-19(17-9-7-5-6-8-10-17)18-12-11-15(2)16(3)14-18/h15-20H,4-14H2,1-3H3
InChIKeyJCBUPOCNFOZXLF-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[cycloheptyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[cycloheptyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine (CID 65399657) is N-[cycloheptyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[cycloheptyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[cycloheptyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine is CCCNC(C1CCCCCC1)C1CCC(C)C(C)C1.
What is the InChIKey of N-[cycloheptyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine?
The InChIKey is JCBUPOCNFOZXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-4-13-20-19(17-9-7-5-6-8-10-17)18-12-11-15(2)16(3)14-18/h15-20H,4-14H2,1-3H3.
What are the key properties of N-[cycloheptyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine?
N-[cycloheptyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine has a molecular weight of 279.51 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cycloheptyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 65399657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).