[1-(2-butoxyethyl)-4-ethylcyclohexyl]methanamine

C15H31NO — CID 65394946

IUPAC[1-(2-butoxyethyl)-4-ethylcyclohexyl]methanamine
SMILESCCCCOCCC1(CN)CCC(CC)CC1
InChIInChI=1S/C15H31NO/c1-3-5-11-17-12-10-15(13-16)8-6-14(4-2)7-9-15/h14H,3-13,16H2,1-2H3
InChIKeyJMQICBZLBDZSHN-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.74
Rot. Bonds8

About [1-(2-butoxyethyl)-4-ethylcyclohexyl]methanamine

[1-(2-butoxyethyl)-4-ethylcyclohexyl]methanamine (PubChem CID 65394946) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is [1-(2-butoxyethyl)-4-ethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2-butoxyethyl)-4-ethylcyclohexyl]methanamine
PubChem CID65394946
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name[1-(2-butoxyethyl)-4-ethylcyclohexyl]methanamine
SMILESCCCCOCCC1(CN)CCC(CC)CC1
InChIInChI=1S/C15H31NO/c1-3-5-11-17-12-10-15(13-16)8-6-14(4-2)7-9-15/h14H,3-13,16H2,1-2H3
InChIKeyJMQICBZLBDZSHN-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-(2-ethoxyethyl)-4-ethylcyclohexyl]methanamine
CID 65394943
[1-(3-ethoxypropyl)-4-ethylcyclohexyl]methanamine
CID 65393494
[4-(2-butoxyethyl)oxan-4-yl]methanamine
CID 62906946
[4-propan-2-yl-1-(2-propoxyethyl)cyclohexyl]methanamine
CID 106459327
[1-[2-(4-bromophenoxy)ethyl]-4-ethylcyclohexyl]methanamine
CID 65393492
[3-(2-butoxyethyl)oxolan-3-yl]methanamine
CID 62725922
[4-butyl-1-(3-methoxypropyl)cyclohexyl]methanamine
CID 62739053
[4-ethyl-1-(3-methylbutyl)cyclohexyl]methanamine
CID 65393489
[1-(2-propoxyethyl)cyclooctyl]methanamine
CID 106459345
[4-ethyl-1-(2-ethylhexyl)cyclohexyl]methanamine
CID 65393906
[3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexyl]methanamine
CID 104568544
1-[4-butyl-1-(2-propoxyethyl)cyclohexyl]-N-methylmethanamine
CID 106456822

Frequently Asked Questions

What is the IUPAC name of [1-(2-butoxyethyl)-4-ethylcyclohexyl]methanamine?
The IUPAC name of [1-(2-butoxyethyl)-4-ethylcyclohexyl]methanamine (CID 65394946) is [1-(2-butoxyethyl)-4-ethylcyclohexyl]methanamine.
What is the SMILES notation for [1-(2-butoxyethyl)-4-ethylcyclohexyl]methanamine?
The canonical SMILES for [1-(2-butoxyethyl)-4-ethylcyclohexyl]methanamine is CCCCOCCC1(CN)CCC(CC)CC1.
What is the InChIKey of [1-(2-butoxyethyl)-4-ethylcyclohexyl]methanamine?
The InChIKey is JMQICBZLBDZSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-3-5-11-17-12-10-15(13-16)8-6-14(4-2)7-9-15/h14H,3-13,16H2,1-2H3.
What are the key properties of [1-(2-butoxyethyl)-4-ethylcyclohexyl]methanamine?
[1-(2-butoxyethyl)-4-ethylcyclohexyl]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 [1-(2-butoxyethyl)-4-ethylcyclohexyl]methanamine is sourced from PubChem (CID 65394946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).