N-[cyclohepten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine

C17H31N — CID 66477455

IUPACN-[cyclohepten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
SMILESCCNC(C1=CCCCCC1)C1C(C)(C)C1(C)C
InChIInChI=1S/C17H31N/c1-6-18-14(13-11-9-7-8-10-12-13)15-16(2,3)17(15,4)5/h11,14-15,18H,6-10,12H2,1-5H3
InChIKeyOJUAMDCAYPRDEP-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.54
Rot. Bonds4

About N-[cyclohepten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine

N-[cyclohepten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine (PubChem CID 66477455) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is N-[cyclohepten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclohepten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
PubChem CID66477455
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC NameN-[cyclohepten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
SMILESCCNC(C1=CCCCCC1)C1C(C)(C)C1(C)C
InChIInChI=1S/C17H31N/c1-6-18-14(13-11-9-7-8-10-12-13)15-16(2,3)17(15,4)5/h11,14-15,18H,6-10,12H2,1-5H3
InChIKeyOJUAMDCAYPRDEP-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.54
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-[cyclohepten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 66477456
N-[cyclobutyl(cyclohexen-1-yl)methyl]ethanamine
CID 62079771
N-[cyclopenten-1-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine
CID 107001196
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-[cycloocten-1-yl-(1-methylcyclopentyl)methyl]ethanamine
CID 106656551
N-[cyclohexen-1-yl(oxolan-2-yl)methyl]ethanamine
CID 62078329
N-[cyclohepten-1-yl-(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
CID 106653850
N-[cyclohexen-1-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 106657478
N-[cyclohexen-1-yl-(3-ethyl-1,4-dithian-2-yl)methyl]ethanamine
CID 106654169
N-[[(1E)-cycloocten-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methyl]ethanamine
CID 106656525
1-(cycloocten-1-yl)-N-ethylhexan-1-amine
CID 106656805

Frequently Asked Questions

What is the IUPAC name of N-[cyclohepten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The IUPAC name of N-[cyclohepten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine (CID 66477455) is N-[cyclohepten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[cyclohepten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[cyclohepten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine is CCNC(C1=CCCCCC1)C1C(C)(C)C1(C)C.
What is the InChIKey of N-[cyclohepten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The InChIKey is OJUAMDCAYPRDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-6-18-14(13-11-9-7-8-10-12-13)15-16(2,3)17(15,4)5/h11,14-15,18H,6-10,12H2,1-5H3.
What are the key properties of N-[cyclohepten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
N-[cyclohepten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine has a molecular weight of 249.44 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohepten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 66477455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).