3-bicyclo[3.1.0]hexanyl-(3-methylcyclohexyl)methanamine

C14H25N — CID 104992100

IUPAC3-bicyclo[3.1.0]hexanyl-(3-methylcyclohexyl)methanamine
SMILESCC1CCCC(C(N)C2CC3CC3C2)C1
InChIInChI=1S/C14H25N/c1-9-3-2-4-10(5-9)14(15)13-7-11-6-12(11)8-13/h9-14H,2-8,15H2,1H3
InChIKeyDMFRKOGXTBFFPE-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.19
Rot. Bonds2

About 3-bicyclo[3.1.0]hexanyl-(3-methylcyclohexyl)methanamine

3-bicyclo[3.1.0]hexanyl-(3-methylcyclohexyl)methanamine (PubChem CID 104992100) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 3-bicyclo[3.1.0]hexanyl-(3-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name3-bicyclo[3.1.0]hexanyl-(3-methylcyclohexyl)methanamine
PubChem CID104992100
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name3-bicyclo[3.1.0]hexanyl-(3-methylcyclohexyl)methanamine
SMILESCC1CCCC(C(N)C2CC3CC3C2)C1
InChIInChI=1S/C14H25N/c1-9-3-2-4-10(5-9)14(15)13-7-11-6-12(11)8-13/h9-14H,2-8,15H2,1H3
InChIKeyDMFRKOGXTBFFPE-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bicyclo[3.1.0]hexanyl-(3-methylcyclohexyl)methanamine?
The IUPAC name of 3-bicyclo[3.1.0]hexanyl-(3-methylcyclohexyl)methanamine (CID 104992100) is 3-bicyclo[3.1.0]hexanyl-(3-methylcyclohexyl)methanamine.
What is the SMILES notation for 3-bicyclo[3.1.0]hexanyl-(3-methylcyclohexyl)methanamine?
The canonical SMILES for 3-bicyclo[3.1.0]hexanyl-(3-methylcyclohexyl)methanamine is CC1CCCC(C(N)C2CC3CC3C2)C1.
What is the InChIKey of 3-bicyclo[3.1.0]hexanyl-(3-methylcyclohexyl)methanamine?
The InChIKey is DMFRKOGXTBFFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-9-3-2-4-10(5-9)14(15)13-7-11-6-12(11)8-13/h9-14H,2-8,15H2,1H3.
What are the key properties of 3-bicyclo[3.1.0]hexanyl-(3-methylcyclohexyl)methanamine?
3-bicyclo[3.1.0]hexanyl-(3-methylcyclohexyl)methanamine has a molecular weight of 207.36 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bicyclo[3.1.0]hexanyl-(3-methylcyclohexyl)methanamine is sourced from PubChem (CID 104992100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).