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

C18H35N — CID 64738638

IUPACN-[cyclohexyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(C1CCCCC1)C1CCC(C)C(C)C1
InChIInChI=1S/C18H35N/c1-4-12-19-18(16-8-6-5-7-9-16)17-11-10-14(2)15(3)13-17/h14-19H,4-13H2,1-3H3
InChIKeyIOMZLCJMSLFICE-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.01
Rot. Bonds5

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

N-[cyclohexyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine (PubChem CID 64738638) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is N-[cyclohexyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclohexyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine
PubChem CID64738638
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC NameN-[cyclohexyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(C1CCCCC1)C1CCC(C)C(C)C1
InChIInChI=1S/C18H35N/c1-4-12-19-18(16-8-6-5-7-9-16)17-11-10-14(2)15(3)13-17/h14-19H,4-13H2,1-3H3
InChIKeyIOMZLCJMSLFICE-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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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Related Compounds

N-[cycloheptyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 65399657
N-[(3,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 64739449
N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine
CID 80609458
N-[(3,4-dimethylcyclohexyl)-(2,2-dimethylcyclopentyl)methyl]propan-1-amine
CID 107189209
N-[(3,4-dimethylcyclohexyl)-(1,1-dioxothiolan-3-yl)methyl]propan-1-amine
CID 115337005
N-[(3,4-dimethylcyclohexyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 104989527
N-[(4-tert-butylcyclohexyl)-cyclohexylmethyl]propan-1-amine
CID 65412906
N-[cyclohexyl-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 114981755
N-[(3,4-dimethylcyclohexyl)-(1,4-dithian-2-yl)methyl]propan-1-amine
CID 79966234
N-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine
CID 65352596
N-[cyclobutyl-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 64986298
N-[(3,5-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 64729509

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[cyclohexyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine (CID 64738638) is N-[cyclohexyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclohexyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclohexyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine is CCCNC(C1CCCCC1)C1CCC(C)C(C)C1.
What is the InChIKey of N-[cyclohexyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine?
The InChIKey is IOMZLCJMSLFICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-4-12-19-18(16-8-6-5-7-9-16)17-11-10-14(2)15(3)13-17/h14-19H,4-13H2,1-3H3.
What are the key properties of N-[cyclohexyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine?
N-[cyclohexyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine has a molecular weight of 265.48 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 64738638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).