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

C19H37N — CID 64739449

IUPACN-[(3,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(C1CCC(C)CC1)C1CCC(C)C(C)C1
InChIInChI=1S/C19H37N/c1-5-12-20-19(17-9-6-14(2)7-10-17)18-11-8-15(3)16(4)13-18/h14-20H,5-13H2,1-4H3
InChIKeyUEOPFOHGSDEQFO-UHFFFAOYSA-N
MW279.51 g/mol
LogP5.25
Rot. Bonds5

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

N-[(3,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine (PubChem CID 64739449) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is N-[(3,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine
PubChem CID64739449
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC NameN-[(3,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(C1CCC(C)CC1)C1CCC(C)C(C)C1
InChIInChI=1S/C19H37N/c1-5-12-20-19(17-9-6-14(2)7-10-17)18-11-8-15(3)16(4)13-18/h14-20H,5-13H2,1-4H3
InChIKeyUEOPFOHGSDEQFO-UHFFFAOYSA-N
XLogP5.25
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 ≤ 55.25
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-[cyclohexyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 64738638
N-[(3,5-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 64729509
N-[(4,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 65391054
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-[(3,4-dimethylcyclohexyl)-(2,2-dimethylcyclopentyl)methyl]propan-1-amine
CID 107189209
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-[(3,4-dimethylcyclohexyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79092980
N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine
CID 80609458
1-(3,4-dimethylcyclohexyl)-3-methyl-N-propylpentan-1-amine
CID 104989433

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[(3,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine (CID 64739449) is N-[(3,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine is CCCNC(C1CCC(C)CC1)C1CCC(C)C(C)C1.
What is the InChIKey of N-[(3,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine?
The InChIKey is UEOPFOHGSDEQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-5-12-20-19(17-9-6-14(2)7-10-17)18-11-8-15(3)16(4)13-18/h14-20H,5-13H2,1-4H3.
What are the key properties of N-[(3,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine?
N-[(3,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine has a molecular weight of 279.51 g/mol, XLogP of 5.25, 5 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-methylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 64739449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).