4-[(2R)-2-methyl-5-methylidenecycloheptyl]butan-2-amine

C13H25N — CID 170060668

IUPAC4-[(2R)-2-methyl-5-methylidenecycloheptyl]butan-2-amine
SMILESC=C1CCC(CCC(C)N)[C@H](C)CC1
InChIInChI=1S/C13H25N/c1-10-4-6-11(2)13(8-5-10)9-7-12(3)14/h11-13H,1,4-9,14H2,2-3H3/t11-,12?,13?/m1/s1
InChIKeyFGFPRWGKQXYREZ-PNESKVBLSA-N
MW195.35 g/mol
LogP3.50
Rot. Bonds3

About 4-[(2R)-2-methyl-5-methylidenecycloheptyl]butan-2-amine

4-[(2R)-2-methyl-5-methylidenecycloheptyl]butan-2-amine (PubChem CID 170060668) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 4-[(2R)-2-methyl-5-methylidenecycloheptyl]butan-2-amine.

Molecular Properties

Compound Name4-[(2R)-2-methyl-5-methylidenecycloheptyl]butan-2-amine
PubChem CID170060668
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name4-[(2R)-2-methyl-5-methylidenecycloheptyl]butan-2-amine
SMILESC=C1CCC(CCC(C)N)[C@H](C)CC1
InChIInChI=1S/C13H25N/c1-10-4-6-11(2)13(8-5-10)9-7-12(3)14/h11-13H,1,4-9,14H2,2-3H3/t11-,12?,13?/m1/s1
InChIKeyFGFPRWGKQXYREZ-PNESKVBLSA-N
XLogP3.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-methyl-5-methylidenecycloheptyl]butan-2-amine?
The IUPAC name of 4-[(2R)-2-methyl-5-methylidenecycloheptyl]butan-2-amine (CID 170060668) is 4-[(2R)-2-methyl-5-methylidenecycloheptyl]butan-2-amine.
What is the SMILES notation for 4-[(2R)-2-methyl-5-methylidenecycloheptyl]butan-2-amine?
The canonical SMILES for 4-[(2R)-2-methyl-5-methylidenecycloheptyl]butan-2-amine is C=C1CCC(CCC(C)N)[C@H](C)CC1.
What is the InChIKey of 4-[(2R)-2-methyl-5-methylidenecycloheptyl]butan-2-amine?
The InChIKey is FGFPRWGKQXYREZ-PNESKVBLSA-N. The full InChI is InChI=1S/C13H25N/c1-10-4-6-11(2)13(8-5-10)9-7-12(3)14/h11-13H,1,4-9,14H2,2-3H3/t11-,12?,13?/m1/s1.
What are the key properties of 4-[(2R)-2-methyl-5-methylidenecycloheptyl]butan-2-amine?
4-[(2R)-2-methyl-5-methylidenecycloheptyl]butan-2-amine has a molecular weight of 195.35 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-methyl-5-methylidenecycloheptyl]butan-2-amine is sourced from PubChem (CID 170060668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).