3-methyl-3-(3-methylbut-3-enyl)-N-propylcyclopentan-1-amine

C14H27N — CID 114477339

IUPAC3-methyl-3-(3-methylbut-3-enyl)-N-propylcyclopentan-1-amine
SMILESC=C(C)CCC1(C)CCC(NCCC)C1
InChIInChI=1S/C14H27N/c1-5-10-15-13-7-9-14(4,11-13)8-6-12(2)3/h13,15H,2,5-11H2,1,3-4H3
InChIKeyAHUZHXRMNOZVIJ-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.90
Rot. Bonds6

About 3-methyl-3-(3-methylbut-3-enyl)-N-propylcyclopentan-1-amine

3-methyl-3-(3-methylbut-3-enyl)-N-propylcyclopentan-1-amine (PubChem CID 114477339) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 3-methyl-3-(3-methylbut-3-enyl)-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-methyl-3-(3-methylbut-3-enyl)-N-propylcyclopentan-1-amine
PubChem CID114477339
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name3-methyl-3-(3-methylbut-3-enyl)-N-propylcyclopentan-1-amine
SMILESC=C(C)CCC1(C)CCC(NCCC)C1
InChIInChI=1S/C14H27N/c1-5-10-15-13-7-9-14(4,11-13)8-6-12(2)3/h13,15H,2,5-11H2,1,3-4H3
InChIKeyAHUZHXRMNOZVIJ-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.90
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 3-methyl-3-(3-methylbut-3-enyl)-N-propylcyclopentan-1-amine?
The IUPAC name of 3-methyl-3-(3-methylbut-3-enyl)-N-propylcyclopentan-1-amine (CID 114477339) is 3-methyl-3-(3-methylbut-3-enyl)-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-methyl-3-(3-methylbut-3-enyl)-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-methyl-3-(3-methylbut-3-enyl)-N-propylcyclopentan-1-amine is C=C(C)CCC1(C)CCC(NCCC)C1.
What is the InChIKey of 3-methyl-3-(3-methylbut-3-enyl)-N-propylcyclopentan-1-amine?
The InChIKey is AHUZHXRMNOZVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-5-10-15-13-7-9-14(4,11-13)8-6-12(2)3/h13,15H,2,5-11H2,1,3-4H3.
What are the key properties of 3-methyl-3-(3-methylbut-3-enyl)-N-propylcyclopentan-1-amine?
3-methyl-3-(3-methylbut-3-enyl)-N-propylcyclopentan-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(3-methylbut-3-enyl)-N-propylcyclopentan-1-amine is sourced from PubChem (CID 114477339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).