(Z)-2-[amino(2-cyclobutylideneethyl)amino]-1-cyclopentylethenamine

C13H23N3 — CID 166913733

IUPAC(Z)-2-[amino(2-cyclobutylideneethyl)amino]-1-cyclopentylethenamine
SMILESN/C(=C\N(N)CC=C1CCC1)C1CCCC1
InChIInChI=1S/C13H23N3/c14-13(12-6-1-2-7-12)10-16(15)9-8-11-4-3-5-11/h8,10,12H,1-7,9,14-15H2/b13-10-
InChIKeyXYVQFDPQCFACNG-RAXLEYEMSA-N
MW221.35 g/mol
LogP2.26
Rot. Bonds4

About (Z)-2-[amino(2-cyclobutylideneethyl)amino]-1-cyclopentylethenamine

(Z)-2-[amino(2-cyclobutylideneethyl)amino]-1-cyclopentylethenamine (PubChem CID 166913733) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is (Z)-2-[amino(2-cyclobutylideneethyl)amino]-1-cyclopentylethenamine.

Molecular Properties

Compound Name(Z)-2-[amino(2-cyclobutylideneethyl)amino]-1-cyclopentylethenamine
PubChem CID166913733
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name(Z)-2-[amino(2-cyclobutylideneethyl)amino]-1-cyclopentylethenamine
SMILESN/C(=C\N(N)CC=C1CCC1)C1CCCC1
InChIInChI=1S/C13H23N3/c14-13(12-6-1-2-7-12)10-16(15)9-8-11-4-3-5-11/h8,10,12H,1-7,9,14-15H2/b13-10-
InChIKeyXYVQFDPQCFACNG-RAXLEYEMSA-N
XLogP2.26
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[amino(2-cyclobutylideneethyl)amino]-1-cyclopentylethenamine?
The IUPAC name of (Z)-2-[amino(2-cyclobutylideneethyl)amino]-1-cyclopentylethenamine (CID 166913733) is (Z)-2-[amino(2-cyclobutylideneethyl)amino]-1-cyclopentylethenamine.
What is the SMILES notation for (Z)-2-[amino(2-cyclobutylideneethyl)amino]-1-cyclopentylethenamine?
The canonical SMILES for (Z)-2-[amino(2-cyclobutylideneethyl)amino]-1-cyclopentylethenamine is N/C(=C\N(N)CC=C1CCC1)C1CCCC1.
What is the InChIKey of (Z)-2-[amino(2-cyclobutylideneethyl)amino]-1-cyclopentylethenamine?
The InChIKey is XYVQFDPQCFACNG-RAXLEYEMSA-N. The full InChI is InChI=1S/C13H23N3/c14-13(12-6-1-2-7-12)10-16(15)9-8-11-4-3-5-11/h8,10,12H,1-7,9,14-15H2/b13-10-.
What are the key properties of (Z)-2-[amino(2-cyclobutylideneethyl)amino]-1-cyclopentylethenamine?
(Z)-2-[amino(2-cyclobutylideneethyl)amino]-1-cyclopentylethenamine has a molecular weight of 221.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[amino(2-cyclobutylideneethyl)amino]-1-cyclopentylethenamine is sourced from PubChem (CID 166913733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).