[4-ethyl-1-(3-methylbutyl)cyclohexyl]methanamine

C14H29N — CID 65393489

IUPAC[4-ethyl-1-(3-methylbutyl)cyclohexyl]methanamine
SMILESCCC1CCC(CN)(CCC(C)C)CC1
InChIInChI=1S/C14H29N/c1-4-13-6-9-14(11-15,10-7-13)8-5-12(2)3/h12-13H,4-11,15H2,1-3H3
InChIKeyNQPBHFMMENVBNB-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.97
Rot. Bonds5

About [4-ethyl-1-(3-methylbutyl)cyclohexyl]methanamine

[4-ethyl-1-(3-methylbutyl)cyclohexyl]methanamine (PubChem CID 65393489) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is [4-ethyl-1-(3-methylbutyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-ethyl-1-(3-methylbutyl)cyclohexyl]methanamine
PubChem CID65393489
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name[4-ethyl-1-(3-methylbutyl)cyclohexyl]methanamine
SMILESCCC1CCC(CN)(CCC(C)C)CC1
InChIInChI=1S/C14H29N/c1-4-13-6-9-14(11-15,10-7-13)8-5-12(2)3/h12-13H,4-11,15H2,1-3H3
InChIKeyNQPBHFMMENVBNB-UHFFFAOYSA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-tert-butyl-1-(3-methylbutyl)cyclohexyl]methanamine
CID 63522154
[1-(2-ethoxyethyl)-4-ethylcyclohexyl]methanamine
CID 65394943
[1-(3-ethoxypropyl)-4-ethylcyclohexyl]methanamine
CID 65393494
[1-(2-butoxyethyl)-4-ethylcyclohexyl]methanamine
CID 65394946
[4-ethyl-1-(2-ethylhexyl)cyclohexyl]methanamine
CID 65393906
3-ethyl-1-(3-methylbutyl)cyclopentan-1-ol
CID 65154263
[4-ethyl-1-(2-phenylsulfanylethyl)cyclohexyl]methanamine
CID 79224493
N-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylbutane-1-sulfonamide
CID 63834732
1-(aminomethyl)-4-ethylcyclohexan-1-amine
CID 43519516
[1-(4-methylpentyl)cyclopentyl]methanamine
CID 83169041
[3-(3-methylbutyl)-3-propylcyclobutyl]methanamine
CID 170062780
[1-[2-(4-bromophenoxy)ethyl]-4-ethylcyclohexyl]methanamine
CID 65393492

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-1-(3-methylbutyl)cyclohexyl]methanamine?
The IUPAC name of [4-ethyl-1-(3-methylbutyl)cyclohexyl]methanamine (CID 65393489) is [4-ethyl-1-(3-methylbutyl)cyclohexyl]methanamine.
What is the SMILES notation for [4-ethyl-1-(3-methylbutyl)cyclohexyl]methanamine?
The canonical SMILES for [4-ethyl-1-(3-methylbutyl)cyclohexyl]methanamine is CCC1CCC(CN)(CCC(C)C)CC1.
What is the InChIKey of [4-ethyl-1-(3-methylbutyl)cyclohexyl]methanamine?
The InChIKey is NQPBHFMMENVBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-4-13-6-9-14(11-15,10-7-13)8-5-12(2)3/h12-13H,4-11,15H2,1-3H3.
What are the key properties of [4-ethyl-1-(3-methylbutyl)cyclohexyl]methanamine?
[4-ethyl-1-(3-methylbutyl)cyclohexyl]methanamine has a molecular weight of 211.39 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-1-(3-methylbutyl)cyclohexyl]methanamine is sourced from PubChem (CID 65393489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).