N-[[2-(3-methoxypropyl)-4-methylcyclohexyl]methyl]propan-1-amine

C15H31NO — CID 81031362

IUPACN-[[2-(3-methoxypropyl)-4-methylcyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCC(C)CC1CCCOC
InChIInChI=1S/C15H31NO/c1-4-9-16-12-15-8-7-13(2)11-14(15)6-5-10-17-3/h13-16H,4-12H2,1-3H3
InChIKeyBHHOEUNFYLWNJV-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.46
Rot. Bonds8

About N-[[2-(3-methoxypropyl)-4-methylcyclohexyl]methyl]propan-1-amine

N-[[2-(3-methoxypropyl)-4-methylcyclohexyl]methyl]propan-1-amine (PubChem CID 81031362) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-[[2-(3-methoxypropyl)-4-methylcyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-methoxypropyl)-4-methylcyclohexyl]methyl]propan-1-amine
PubChem CID81031362
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-[[2-(3-methoxypropyl)-4-methylcyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCC(C)CC1CCCOC
InChIInChI=1S/C15H31NO/c1-4-9-16-12-15-8-7-13(2)11-14(15)6-5-10-17-3/h13-16H,4-12H2,1-3H3
InChIKeyBHHOEUNFYLWNJV-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-1-amine
CID 81033298
N-[[4-methyl-2-(4-methylpentyl)cyclohexyl]methyl]propan-1-amine
CID 83163463
N-[[2-(3-ethylsulfanylpropyl)-4-methylcyclohexyl]methyl]propan-1-amine
CID 113474781
N-[[2-(3-ethoxypropyl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 81029753
N-[(2-butylcyclohexyl)methyl]propan-1-amine
CID 81028150
N-[[(1R,2S)-2-methylcyclopropyl]methyl]propan-1-amine
CID 93261342
N-methyl-1-(4-methyl-2-nonylcyclohexyl)methanamine
CID 81025245
N-[[2-(3-methoxypropyl)cyclobutyl]methyl]propan-2-amine
CID 81017330
N-[(2-nonylcyclohexyl)methyl]propan-1-amine
CID 81028144
N-[(2-decylcyclopentyl)methyl]propan-1-amine
CID 81035001
N-[[2-(4-methoxybutan-2-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 116500524
N-[[2-(3-phenoxypropyl)cyclohexyl]methyl]propan-1-amine
CID 81026864

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methoxypropyl)-4-methylcyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3-methoxypropyl)-4-methylcyclohexyl]methyl]propan-1-amine (CID 81031362) is N-[[2-(3-methoxypropyl)-4-methylcyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3-methoxypropyl)-4-methylcyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3-methoxypropyl)-4-methylcyclohexyl]methyl]propan-1-amine is CCCNCC1CCC(C)CC1CCCOC.
What is the InChIKey of N-[[2-(3-methoxypropyl)-4-methylcyclohexyl]methyl]propan-1-amine?
The InChIKey is BHHOEUNFYLWNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-9-16-12-15-8-7-13(2)11-14(15)6-5-10-17-3/h13-16H,4-12H2,1-3H3.
What are the key properties of N-[[2-(3-methoxypropyl)-4-methylcyclohexyl]methyl]propan-1-amine?
N-[[2-(3-methoxypropyl)-4-methylcyclohexyl]methyl]propan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methoxypropyl)-4-methylcyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 81031362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).