2-[1-(aminomethyl)cyclohexyl]-N-[(1-ethylcyclopropyl)methyl]ethanamine

C15H30N2 — CID 114100611

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-[(1-ethylcyclopropyl)methyl]ethanamine
SMILESCCC1(CNCCC2(CN)CCCCC2)CC1
InChIInChI=1S/C15H30N2/c1-2-14(8-9-14)13-17-11-10-15(12-16)6-4-3-5-7-15/h17H,2-13,16H2,1H3
InChIKeyFQGOVHRFIXWGFX-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.07
Rot. Bonds7

About 2-[1-(aminomethyl)cyclohexyl]-N-[(1-ethylcyclopropyl)methyl]ethanamine

2-[1-(aminomethyl)cyclohexyl]-N-[(1-ethylcyclopropyl)methyl]ethanamine (PubChem CID 114100611) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-[(1-ethylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-[(1-ethylcyclopropyl)methyl]ethanamine
PubChem CID114100611
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-[(1-ethylcyclopropyl)methyl]ethanamine
SMILESCCC1(CNCCC2(CN)CCCCC2)CC1
InChIInChI=1S/C15H30N2/c1-2-14(8-9-14)13-17-11-10-15(12-16)6-4-3-5-7-15/h17H,2-13,16H2,1H3
InChIKeyFQGOVHRFIXWGFX-UHFFFAOYSA-N
XLogP3.07
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-ethylcyclooctyl)methanamine
CID 80604065
2-[1-(aminomethyl)cyclohexyl]-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 104678972
N-[(1-ethylcyclobutyl)methyl]ethanamine
CID 65194759
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-2,3,3-trimethylbutan-1-amine
CID 83143766
2-[1-(aminomethyl)cyclobutyl]-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 81169943
N-[[1-(aminomethyl)cycloheptyl]methyl]-2-methylpropan-1-amine
CID 115444997
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxyethanamine
CID 115449017
2-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine
CID 62723578
N-[(1-hexylcyclohexyl)methyl]propan-1-amine
CID 63508687
N-[2-[1-(aminomethyl)cyclohexyl]ethyl]cycloheptanamine
CID 113440233
N-[2-[1-(aminomethyl)cyclohexyl]ethyl]heptan-2-amine
CID 104678802
2-[1-(aminomethyl)cyclobutyl]-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 106012080

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[(1-ethylcyclopropyl)methyl]ethanamine?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[(1-ethylcyclopropyl)methyl]ethanamine (CID 114100611) is 2-[1-(aminomethyl)cyclohexyl]-N-[(1-ethylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-[(1-ethylcyclopropyl)methyl]ethanamine?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-[(1-ethylcyclopropyl)methyl]ethanamine is CCC1(CNCCC2(CN)CCCCC2)CC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-[(1-ethylcyclopropyl)methyl]ethanamine?
The InChIKey is FQGOVHRFIXWGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-2-14(8-9-14)13-17-11-10-15(12-16)6-4-3-5-7-15/h17H,2-13,16H2,1H3.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-[(1-ethylcyclopropyl)methyl]ethanamine?
2-[1-(aminomethyl)cyclohexyl]-N-[(1-ethylcyclopropyl)methyl]ethanamine has a molecular weight of 238.42 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-[(1-ethylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 114100611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).