[4-butyl-1-(3-methoxypropyl)cyclohexyl]methanamine

C15H31NO — CID 62739053

IUPAC[4-butyl-1-(3-methoxypropyl)cyclohexyl]methanamine
SMILESCCCCC1CCC(CN)(CCCOC)CC1
InChIInChI=1S/C15H31NO/c1-3-4-6-14-7-10-15(13-16,11-8-14)9-5-12-17-2/h14H,3-13,16H2,1-2H3
InChIKeyWOPKELUSMKDYQR-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.74
Rot. Bonds8

About [4-butyl-1-(3-methoxypropyl)cyclohexyl]methanamine

[4-butyl-1-(3-methoxypropyl)cyclohexyl]methanamine (PubChem CID 62739053) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is [4-butyl-1-(3-methoxypropyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-butyl-1-(3-methoxypropyl)cyclohexyl]methanamine
PubChem CID62739053
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name[4-butyl-1-(3-methoxypropyl)cyclohexyl]methanamine
SMILESCCCCC1CCC(CN)(CCCOC)CC1
InChIInChI=1S/C15H31NO/c1-3-4-6-14-7-10-15(13-16,11-8-14)9-5-12-17-2/h14H,3-13,16H2,1-2H3
InChIKeyWOPKELUSMKDYQR-UHFFFAOYSA-N
XLogP3.74
TPSA35.25 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 ≤ 53.74
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

1-(bromomethyl)-4-butyl-1-[3-(2-methoxyethoxy)propyl]cyclohexane
CID 103415388
N-[[4-butyl-1-(2-methoxyethyl)cyclohexyl]methyl]propan-1-amine
CID 63522013
[1-(3-ethoxypropyl)-4-ethylcyclohexyl]methanamine
CID 65393494
[1-(4-methoxybutyl)cyclopropyl]methanamine
CID 104649416
[1-(2-butoxyethyl)-4-ethylcyclohexyl]methanamine
CID 65394946
[1-(4-methoxybutoxy)-4-propylcyclohexyl]methanamine
CID 113436771
[4-butyl-1-(2-thiophen-2-ylethyl)cyclohexyl]methanamine
CID 63773916
4-butyl-1-(chloromethyl)-1-ethylcyclohexane
CID 66035295
1-(bromomethyl)-4-butyl-1-octylcyclohexane
CID 66047977
N-[(1,4-dibutylcyclohexyl)methyl]ethanamine
CID 63523259
1-[4-butyl-1-(methoxymethyl)cyclohexyl]-N-methylmethanamine
CID 103984471
N-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 103984483

Frequently Asked Questions

What is the IUPAC name of [4-butyl-1-(3-methoxypropyl)cyclohexyl]methanamine?
The IUPAC name of [4-butyl-1-(3-methoxypropyl)cyclohexyl]methanamine (CID 62739053) is [4-butyl-1-(3-methoxypropyl)cyclohexyl]methanamine.
What is the SMILES notation for [4-butyl-1-(3-methoxypropyl)cyclohexyl]methanamine?
The canonical SMILES for [4-butyl-1-(3-methoxypropyl)cyclohexyl]methanamine is CCCCC1CCC(CN)(CCCOC)CC1.
What is the InChIKey of [4-butyl-1-(3-methoxypropyl)cyclohexyl]methanamine?
The InChIKey is WOPKELUSMKDYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-3-4-6-14-7-10-15(13-16,11-8-14)9-5-12-17-2/h14H,3-13,16H2,1-2H3.
What are the key properties of [4-butyl-1-(3-methoxypropyl)cyclohexyl]methanamine?
[4-butyl-1-(3-methoxypropyl)cyclohexyl]methanamine has a molecular weight of 241.42 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-butyl-1-(3-methoxypropyl)cyclohexyl]methanamine is sourced from PubChem (CID 62739053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).