N-[1-(4-methylcyclohexyl)-2-propan-2-yloxyethyl]propan-1-amine

C15H31NO — CID 79575417

IUPACN-[1-(4-methylcyclohexyl)-2-propan-2-yloxyethyl]propan-1-amine
SMILESCCCNC(COC(C)C)C1CCC(C)CC1
InChIInChI=1S/C15H31NO/c1-5-10-16-15(11-17-12(2)3)14-8-6-13(4)7-9-14/h12-16H,5-11H2,1-4H3
InChIKeyJNJKLXUDTUHXHF-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.61
Rot. Bonds7

About N-[1-(4-methylcyclohexyl)-2-propan-2-yloxyethyl]propan-1-amine

N-[1-(4-methylcyclohexyl)-2-propan-2-yloxyethyl]propan-1-amine (PubChem CID 79575417) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-[1-(4-methylcyclohexyl)-2-propan-2-yloxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-methylcyclohexyl)-2-propan-2-yloxyethyl]propan-1-amine
PubChem CID79575417
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-[1-(4-methylcyclohexyl)-2-propan-2-yloxyethyl]propan-1-amine
SMILESCCCNC(COC(C)C)C1CCC(C)CC1
InChIInChI=1S/C15H31NO/c1-5-10-16-15(11-17-12(2)3)14-8-6-13(4)7-9-14/h12-16H,5-11H2,1-4H3
InChIKeyJNJKLXUDTUHXHF-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopentyl-2-propan-2-yloxyethyl)propan-1-amine
CID 79574942
N-[2-cyclopropyl-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 64907023
N-[1-(5-methyloxolan-3-yl)-2-propan-2-yloxyethyl]propan-1-amine
CID 105013507
1-(4-methylcyclohexyl)-N-propylpentan-1-amine
CID 63415743
N-[1-cyclopropyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]propan-1-amine
CID 63907290
N-[1-(2,3-dihydro-1H-inden-2-yl)-2-propan-2-yloxyethyl]propan-1-amine
CID 79574668
1-cyclopentyl-N-ethyl-2-propan-2-yloxyethanamine
CID 79574827
N-ethyl-1-(4-ethylcyclohexyl)-2-propan-2-yloxyethanamine
CID 79575007
N-[1-cyclopropyl-2-(cyclopropylmethoxy)ethyl]propan-1-amine
CID 63908760
N-[1-(2,2-dimethylcyclopentyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 107190033
1-(4-propan-2-ylcyclohexyl)-N-propylpropan-1-amine
CID 65424395
N-[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-propan-2-yloxyethyl]propan-1-amine
CID 103346362

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylcyclohexyl)-2-propan-2-yloxyethyl]propan-1-amine?
The IUPAC name of N-[1-(4-methylcyclohexyl)-2-propan-2-yloxyethyl]propan-1-amine (CID 79575417) is N-[1-(4-methylcyclohexyl)-2-propan-2-yloxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-methylcyclohexyl)-2-propan-2-yloxyethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-methylcyclohexyl)-2-propan-2-yloxyethyl]propan-1-amine is CCCNC(COC(C)C)C1CCC(C)CC1.
What is the InChIKey of N-[1-(4-methylcyclohexyl)-2-propan-2-yloxyethyl]propan-1-amine?
The InChIKey is JNJKLXUDTUHXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-5-10-16-15(11-17-12(2)3)14-8-6-13(4)7-9-14/h12-16H,5-11H2,1-4H3.
What are the key properties of N-[1-(4-methylcyclohexyl)-2-propan-2-yloxyethyl]propan-1-amine?
N-[1-(4-methylcyclohexyl)-2-propan-2-yloxyethyl]propan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylcyclohexyl)-2-propan-2-yloxyethyl]propan-1-amine is sourced from PubChem (CID 79575417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).