2-(3,5-dimethylcyclohexyl)-N-propylcyclohexan-1-amine

C17H33N — CID 64730144

IUPAC2-(3,5-dimethylcyclohexyl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1C1CC(C)CC(C)C1
InChIInChI=1S/C17H33N/c1-4-9-18-17-8-6-5-7-16(17)15-11-13(2)10-14(3)12-15/h13-18H,4-12H2,1-3H3
InChIKeyHIZURJCACZPOFX-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.62
Rot. Bonds4

About 2-(3,5-dimethylcyclohexyl)-N-propylcyclohexan-1-amine

2-(3,5-dimethylcyclohexyl)-N-propylcyclohexan-1-amine (PubChem CID 64730144) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 2-(3,5-dimethylcyclohexyl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3,5-dimethylcyclohexyl)-N-propylcyclohexan-1-amine
PubChem CID64730144
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name2-(3,5-dimethylcyclohexyl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1C1CC(C)CC(C)C1
InChIInChI=1S/C17H33N/c1-4-9-18-17-8-6-5-7-16(17)15-11-13(2)10-14(3)12-15/h13-18H,4-12H2,1-3H3
InChIKeyHIZURJCACZPOFX-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2S,6R,7S,8R)-N-propyltricyclo[5.2.1.02,6]decan-8-amine
CID 124708771
2-(oxan-3-yl)-N-propylcycloheptan-1-amine
CID 107137480
[4-methyl-6-[2-(propylamino)cyclopropyl]cyclooctyl]methanol
CID 163660765
N-[[2-(3,5-dimethylcyclohexyl)cycloheptyl]methyl]cyclopropanamine
CID 81025418
2-(6-oxaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine
CID 79920486
ethanol;2-methyl-N-propylcycloheptan-1-amine
CID 71071730
2-methylsulfanyl-N-propylcyclododecan-1-amine
CID 64628691
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
2-N-cyclopentyl-2-N,3,5-trimethyl-1-N-propylcyclohexane-1,2-diamine
CID 64723407
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 115559618
3-(3,5-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine
CID 104674893
2-pentan-2-yl-N-propylcyclohexan-1-amine
CID 107886768

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylcyclohexyl)-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(3,5-dimethylcyclohexyl)-N-propylcyclohexan-1-amine (CID 64730144) is 2-(3,5-dimethylcyclohexyl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(3,5-dimethylcyclohexyl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(3,5-dimethylcyclohexyl)-N-propylcyclohexan-1-amine is CCCNC1CCCCC1C1CC(C)CC(C)C1.
What is the InChIKey of 2-(3,5-dimethylcyclohexyl)-N-propylcyclohexan-1-amine?
The InChIKey is HIZURJCACZPOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-4-9-18-17-8-6-5-7-16(17)15-11-13(2)10-14(3)12-15/h13-18H,4-12H2,1-3H3.
What are the key properties of 2-(3,5-dimethylcyclohexyl)-N-propylcyclohexan-1-amine?
2-(3,5-dimethylcyclohexyl)-N-propylcyclohexan-1-amine has a molecular weight of 251.46 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylcyclohexyl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64730144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).