[1-(3-ethoxypropyl)-4-ethylcyclohexyl]methanamine

C14H29NO — CID 65393494

IUPAC[1-(3-ethoxypropyl)-4-ethylcyclohexyl]methanamine
SMILESCCOCCCC1(CN)CCC(CC)CC1
InChIInChI=1S/C14H29NO/c1-3-13-6-9-14(12-15,10-7-13)8-5-11-16-4-2/h13H,3-12,15H2,1-2H3
InChIKeyAYQZXERICVSFFP-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.35
Rot. Bonds7

About [1-(3-ethoxypropyl)-4-ethylcyclohexyl]methanamine

[1-(3-ethoxypropyl)-4-ethylcyclohexyl]methanamine (PubChem CID 65393494) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is [1-(3-ethoxypropyl)-4-ethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-ethoxypropyl)-4-ethylcyclohexyl]methanamine
PubChem CID65393494
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name[1-(3-ethoxypropyl)-4-ethylcyclohexyl]methanamine
SMILESCCOCCCC1(CN)CCC(CC)CC1
InChIInChI=1S/C14H29NO/c1-3-13-6-9-14(12-15,10-7-13)8-5-11-16-4-2/h13H,3-12,15H2,1-2H3
InChIKeyAYQZXERICVSFFP-UHFFFAOYSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.35
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-(2-butoxyethyl)-4-ethylcyclohexyl]methanamine
CID 65394946
[1-(2-ethoxyethoxy)-4-ethylcyclohexyl]methanamine
CID 62107731
[4-butyl-1-(3-methoxypropyl)cyclohexyl]methanamine
CID 62739053
[4-ethyl-1-(3-methylbutyl)cyclohexyl]methanamine
CID 65393489
1-(aminomethyl)-N-(3-ethoxypropyl)-4-ethyl-N-methylcyclohexan-1-amine
CID 65176634
[1-(2-ethoxyethyl)cyclopentyl]methanamine
CID 62724287
[1-[2-(4-bromophenoxy)ethyl]-4-ethylcyclohexyl]methanamine
CID 65393492
1-[1-(aminomethyl)-4-ethylcyclohexyl]-2,2-dimethylcyclohexan-1-ol
CID 79852793
[4-ethyl-1-(2-phenylsulfanylethyl)cyclohexyl]methanamine
CID 79224493
[4-ethyl-1-(2-ethylhexyl)cyclohexyl]methanamine
CID 65393906
(1-ethoxy-4-ethylcycloheptyl)methanamine
CID 66073194

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethoxypropyl)-4-ethylcyclohexyl]methanamine?
The IUPAC name of [1-(3-ethoxypropyl)-4-ethylcyclohexyl]methanamine (CID 65393494) is [1-(3-ethoxypropyl)-4-ethylcyclohexyl]methanamine.
What is the SMILES notation for [1-(3-ethoxypropyl)-4-ethylcyclohexyl]methanamine?
The canonical SMILES for [1-(3-ethoxypropyl)-4-ethylcyclohexyl]methanamine is CCOCCCC1(CN)CCC(CC)CC1.
What is the InChIKey of [1-(3-ethoxypropyl)-4-ethylcyclohexyl]methanamine?
The InChIKey is AYQZXERICVSFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-3-13-6-9-14(12-15,10-7-13)8-5-11-16-4-2/h13H,3-12,15H2,1-2H3.
What are the key properties of [1-(3-ethoxypropyl)-4-ethylcyclohexyl]methanamine?
[1-(3-ethoxypropyl)-4-ethylcyclohexyl]methanamine has a molecular weight of 227.39 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethoxypropyl)-4-ethylcyclohexyl]methanamine is sourced from PubChem (CID 65393494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).