3-(3,3-dimethylcyclopentylidene)propan-1-amine

C10H19N — CID 80700174

IUPAC3-(3,3-dimethylcyclopentylidene)propan-1-amine
SMILESCC1(C)CCC(=CCCN)C1
InChIInChI=1S/C10H19N/c1-10(2)6-5-9(8-10)4-3-7-11/h4H,3,5-8,11H2,1-2H3
InChIKeyUVEPGVVFNIGVLV-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.47
Rot. Bonds2

About 3-(3,3-dimethylcyclopentylidene)propan-1-amine

3-(3,3-dimethylcyclopentylidene)propan-1-amine (PubChem CID 80700174) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 3-(3,3-dimethylcyclopentylidene)propan-1-amine.

Molecular Properties

Compound Name3-(3,3-dimethylcyclopentylidene)propan-1-amine
PubChem CID80700174
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name3-(3,3-dimethylcyclopentylidene)propan-1-amine
SMILESCC1(C)CCC(=CCCN)C1
InChIInChI=1S/C10H19N/c1-10(2)6-5-9(8-10)4-3-7-11/h4H,3,5-8,11H2,1-2H3
InChIKeyUVEPGVVFNIGVLV-UHFFFAOYSA-N
XLogP2.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.47
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-(3,3-dimethylcyclopentylidene)propan-1-amine?
The IUPAC name of 3-(3,3-dimethylcyclopentylidene)propan-1-amine (CID 80700174) is 3-(3,3-dimethylcyclopentylidene)propan-1-amine.
What is the SMILES notation for 3-(3,3-dimethylcyclopentylidene)propan-1-amine?
The canonical SMILES for 3-(3,3-dimethylcyclopentylidene)propan-1-amine is CC1(C)CCC(=CCCN)C1.
What is the InChIKey of 3-(3,3-dimethylcyclopentylidene)propan-1-amine?
The InChIKey is UVEPGVVFNIGVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-10(2)6-5-9(8-10)4-3-7-11/h4H,3,5-8,11H2,1-2H3.
What are the key properties of 3-(3,3-dimethylcyclopentylidene)propan-1-amine?
3-(3,3-dimethylcyclopentylidene)propan-1-amine has a molecular weight of 153.27 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylcyclopentylidene)propan-1-amine is sourced from PubChem (CID 80700174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).