1-cycloheptyl-1-cyclopropyl-N-methylmethanamine

C12H23N — CID 65399883

IUPAC1-cycloheptyl-1-cyclopropyl-N-methylmethanamine
SMILESCNC(C1CCCCCC1)C1CC1
InChIInChI=1S/C12H23N/c1-13-12(11-8-9-11)10-6-4-2-3-5-7-10/h10-13H,2-9H2,1H3
InChIKeyFEWCVZCCZRIUFK-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.95
Rot. Bonds3

About 1-cycloheptyl-1-cyclopropyl-N-methylmethanamine

1-cycloheptyl-1-cyclopropyl-N-methylmethanamine (PubChem CID 65399883) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-cycloheptyl-1-cyclopropyl-N-methylmethanamine.

Molecular Properties

Compound Name1-cycloheptyl-1-cyclopropyl-N-methylmethanamine
PubChem CID65399883
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-cycloheptyl-1-cyclopropyl-N-methylmethanamine
SMILESCNC(C1CCCCCC1)C1CC1
InChIInChI=1S/C12H23N/c1-13-12(11-8-9-11)10-6-4-2-3-5-7-10/h10-13H,2-9H2,1H3
InChIKeyFEWCVZCCZRIUFK-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-1-cyclopropyl-N-methylmethanamine?
The IUPAC name of 1-cycloheptyl-1-cyclopropyl-N-methylmethanamine (CID 65399883) is 1-cycloheptyl-1-cyclopropyl-N-methylmethanamine.
What is the SMILES notation for 1-cycloheptyl-1-cyclopropyl-N-methylmethanamine?
The canonical SMILES for 1-cycloheptyl-1-cyclopropyl-N-methylmethanamine is CNC(C1CCCCCC1)C1CC1.
What is the InChIKey of 1-cycloheptyl-1-cyclopropyl-N-methylmethanamine?
The InChIKey is FEWCVZCCZRIUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-13-12(11-8-9-11)10-6-4-2-3-5-7-10/h10-13H,2-9H2,1H3.
What are the key properties of 1-cycloheptyl-1-cyclopropyl-N-methylmethanamine?
1-cycloheptyl-1-cyclopropyl-N-methylmethanamine has a molecular weight of 181.32 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-1-cyclopropyl-N-methylmethanamine is sourced from PubChem (CID 65399883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).