N-[(3,4-dimethylcyclohexyl)-(2,2-dimethylcyclopentyl)methyl]propan-1-amine

C19H37N — CID 107189209

IUPACN-[(3,4-dimethylcyclohexyl)-(2,2-dimethylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(C1CCC(C)C(C)C1)C1CCCC1(C)C
InChIInChI=1S/C19H37N/c1-6-12-20-18(17-8-7-11-19(17,4)5)16-10-9-14(2)15(3)13-16/h14-18,20H,6-13H2,1-5H3
InChIKeySIMQZUSJQIRVRW-UHFFFAOYSA-N
MW279.51 g/mol
LogP5.25
Rot. Bonds5

About N-[(3,4-dimethylcyclohexyl)-(2,2-dimethylcyclopentyl)methyl]propan-1-amine

N-[(3,4-dimethylcyclohexyl)-(2,2-dimethylcyclopentyl)methyl]propan-1-amine (PubChem CID 107189209) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is N-[(3,4-dimethylcyclohexyl)-(2,2-dimethylcyclopentyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dimethylcyclohexyl)-(2,2-dimethylcyclopentyl)methyl]propan-1-amine
PubChem CID107189209
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC NameN-[(3,4-dimethylcyclohexyl)-(2,2-dimethylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(C1CCC(C)C(C)C1)C1CCCC1(C)C
InChIInChI=1S/C19H37N/c1-6-12-20-18(17-8-7-11-19(17,4)5)16-10-9-14(2)15(3)13-16/h14-18,20H,6-13H2,1-5H3
InChIKeySIMQZUSJQIRVRW-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-[(3,5-dimethylcyclohexyl)-(2,2-dimethylcyclopentyl)methyl]propan-1-amine
CID 107189191
N-[cycloheptyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 65399657
N-[cyclohexyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 64738638
N-[(3,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 64739449
N-[(2,2-dimethylcyclopentyl)-(oxan-3-yl)methyl]propan-1-amine
CID 107191939
1-(2,2-dimethylcyclopentyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 107188690
N-[(3,4-dimethylcyclohexyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 104989527
N-[(2,2-dimethylcyclopentyl)-(4-ethylcyclohexyl)methyl]ethanamine
CID 107189244
N-[(3,4-dimethylcyclohexyl)-(1,1-dioxothiolan-3-yl)methyl]propan-1-amine
CID 115337005
N-[1-(2,2-dimethylcyclopentyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 107190033
N-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine
CID 65352596
N-[(3,4-dimethylcyclohexyl)-(1,4-dithian-2-yl)methyl]propan-1-amine
CID 79966234

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylcyclohexyl)-(2,2-dimethylcyclopentyl)methyl]propan-1-amine?
The IUPAC name of N-[(3,4-dimethylcyclohexyl)-(2,2-dimethylcyclopentyl)methyl]propan-1-amine (CID 107189209) is N-[(3,4-dimethylcyclohexyl)-(2,2-dimethylcyclopentyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,4-dimethylcyclohexyl)-(2,2-dimethylcyclopentyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,4-dimethylcyclohexyl)-(2,2-dimethylcyclopentyl)methyl]propan-1-amine is CCCNC(C1CCC(C)C(C)C1)C1CCCC1(C)C.
What is the InChIKey of N-[(3,4-dimethylcyclohexyl)-(2,2-dimethylcyclopentyl)methyl]propan-1-amine?
The InChIKey is SIMQZUSJQIRVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-6-12-20-18(17-8-7-11-19(17,4)5)16-10-9-14(2)15(3)13-16/h14-18,20H,6-13H2,1-5H3.
What are the key properties of N-[(3,4-dimethylcyclohexyl)-(2,2-dimethylcyclopentyl)methyl]propan-1-amine?
N-[(3,4-dimethylcyclohexyl)-(2,2-dimethylcyclopentyl)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)-(2,2-dimethylcyclopentyl)methyl]propan-1-amine is sourced from PubChem (CID 107189209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).