cyclohepten-1-yl-(3-methylcyclohexyl)methanamine

C15H27N — CID 106652734

IUPACcyclohepten-1-yl-(3-methylcyclohexyl)methanamine
SMILESCC1CCCC(C(N)C2=CCCCCC2)C1
InChIInChI=1S/C15H27N/c1-12-7-6-10-14(11-12)15(16)13-8-4-2-3-5-9-13/h8,12,14-15H,2-7,9-11,16H2,1H3
InChIKeyOMHPOSSJXDQBOL-UHFFFAOYSA-N
MW221.39 g/mol
LogP4.03
Rot. Bonds2

About cyclohepten-1-yl-(3-methylcyclohexyl)methanamine

cyclohepten-1-yl-(3-methylcyclohexyl)methanamine (PubChem CID 106652734) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is cyclohepten-1-yl-(3-methylcyclohexyl)methanamine.

Molecular Properties

Compound Namecyclohepten-1-yl-(3-methylcyclohexyl)methanamine
PubChem CID106652734
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Namecyclohepten-1-yl-(3-methylcyclohexyl)methanamine
SMILESCC1CCCC(C(N)C2=CCCCCC2)C1
InChIInChI=1S/C15H27N/c1-12-7-6-10-14(11-12)15(16)13-8-4-2-3-5-9-13/h8,12,14-15H,2-7,9-11,16H2,1H3
InChIKeyOMHPOSSJXDQBOL-UHFFFAOYSA-N
XLogP4.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.03
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

cyclohepten-1-yl(cyclopentyl)methanamine
CID 62079813
cyclohepten-1-yl(cyclooctyl)methanamine
CID 65018804
cyclohepten-1-yl-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 106657070
[cycloocten-1-yl-(3-methylcyclopentyl)methyl]hydrazine
CID 106649073
cyclohexen-1-yl(oxan-3-yl)methanamine
CID 63013990
1-[amino(cyclohepten-1-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 106653714
(3-methylcyclohexyl)-(5-methylthiophen-3-yl)methanamine
CID 65105141
cyclohepten-1-yl(cyclopentyl)methanol
CID 62078752
cyclohepten-1-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
CID 106653032
(3-methylcyclohexyl)-(5-methylfuran-2-yl)methanamine
CID 104991972
(1S)-1-[(1S,3S)-3-methylcyclohexyl]ethanamine
CID 124508943
1-(3-methylcyclohexyl)ethanamine
CID 54595475

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl-(3-methylcyclohexyl)methanamine?
The IUPAC name of cyclohepten-1-yl-(3-methylcyclohexyl)methanamine (CID 106652734) is cyclohepten-1-yl-(3-methylcyclohexyl)methanamine.
What is the SMILES notation for cyclohepten-1-yl-(3-methylcyclohexyl)methanamine?
The canonical SMILES for cyclohepten-1-yl-(3-methylcyclohexyl)methanamine is CC1CCCC(C(N)C2=CCCCCC2)C1.
What is the InChIKey of cyclohepten-1-yl-(3-methylcyclohexyl)methanamine?
The InChIKey is OMHPOSSJXDQBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-12-7-6-10-14(11-12)15(16)13-8-4-2-3-5-9-13/h8,12,14-15H,2-7,9-11,16H2,1H3.
What are the key properties of cyclohepten-1-yl-(3-methylcyclohexyl)methanamine?
cyclohepten-1-yl-(3-methylcyclohexyl)methanamine has a molecular weight of 221.39 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl-(3-methylcyclohexyl)methanamine is sourced from PubChem (CID 106652734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).