N-[cyclobutyl(cyclohexen-1-yl)methyl]ethanamine

C13H23N — CID 62079771

IUPACN-[cyclobutyl(cyclohexen-1-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCC1)C1CCC1
InChIInChI=1S/C13H23N/c1-2-14-13(12-9-6-10-12)11-7-4-3-5-8-11/h7,12-14H,2-6,8-10H2,1H3
InChIKeyAPAMBGOBQNCTHM-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.27
Rot. Bonds4

About N-[cyclobutyl(cyclohexen-1-yl)methyl]ethanamine

N-[cyclobutyl(cyclohexen-1-yl)methyl]ethanamine (PubChem CID 62079771) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-[cyclobutyl(cyclohexen-1-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclobutyl(cyclohexen-1-yl)methyl]ethanamine
PubChem CID62079771
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-[cyclobutyl(cyclohexen-1-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCC1)C1CCC1
InChIInChI=1S/C13H23N/c1-2-14-13(12-9-6-10-12)11-7-4-3-5-8-11/h7,12-14H,2-6,8-10H2,1H3
InChIKeyAPAMBGOBQNCTHM-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[cycloocten-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 106654312
N-[[(1E)-cycloocten-1-yl]-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine
CID 106653336
N-[cyclohepten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 66477455
N-[cyclohexen-1-yl(oxolan-2-yl)methyl]ethanamine
CID 62078329
N-[cyclohexen-1-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 106657478
N-[cyclohexen-1-yl(oxan-4-yl)methyl]propan-1-amine
CID 55133142
N-[cyclopenten-1-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
CID 107126541
N-[cyclohexen-1-yl(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine
CID 106653327
N-[cycloocten-1-yl-(4,4-difluorocyclohexyl)methyl]propan-1-amine
CID 106656859
N-[cyclopenten-1-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine
CID 107001196
N-[cyclohexen-1-yl-(3-ethyl-1,4-dithian-2-yl)methyl]ethanamine
CID 106654169
N-[cyclohepten-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]ethanamine
CID 106657058

Frequently Asked Questions

What is the IUPAC name of N-[cyclobutyl(cyclohexen-1-yl)methyl]ethanamine?
The IUPAC name of N-[cyclobutyl(cyclohexen-1-yl)methyl]ethanamine (CID 62079771) is N-[cyclobutyl(cyclohexen-1-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclobutyl(cyclohexen-1-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclobutyl(cyclohexen-1-yl)methyl]ethanamine is CCNC(C1=CCCCC1)C1CCC1.
What is the InChIKey of N-[cyclobutyl(cyclohexen-1-yl)methyl]ethanamine?
The InChIKey is APAMBGOBQNCTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-2-14-13(12-9-6-10-12)11-7-4-3-5-8-11/h7,12-14H,2-6,8-10H2,1H3.
What are the key properties of N-[cyclobutyl(cyclohexen-1-yl)methyl]ethanamine?
N-[cyclobutyl(cyclohexen-1-yl)methyl]ethanamine has a molecular weight of 193.33 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclobutyl(cyclohexen-1-yl)methyl]ethanamine is sourced from PubChem (CID 62079771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).