(4Z)-5-[amino(butyl)amino]-9-ethylbicyclo[6.1.0]non-4-en-4-amine

C15H29N3 — CID 145240232

IUPAC(4Z)-5-[amino(butyl)amino]-9-ethylbicyclo[6.1.0]non-4-en-4-amine
SMILESCCCCN(N)/C1=C(\N)CCC2C(CC)C2CC1
InChIInChI=1S/C15H29N3/c1-3-5-10-18(17)15-9-7-13-11(4-2)12(13)6-8-14(15)16/h11-13H,3-10,16-17H2,1-2H3/b15-14-
InChIKeyBJUFRRUNHIBTLS-PFONDFGASA-N
MW251.42 g/mol
LogP2.98
Rot. Bonds5

About (4Z)-5-[amino(butyl)amino]-9-ethylbicyclo[6.1.0]non-4-en-4-amine

(4Z)-5-[amino(butyl)amino]-9-ethylbicyclo[6.1.0]non-4-en-4-amine (PubChem CID 145240232) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is (4Z)-5-[amino(butyl)amino]-9-ethylbicyclo[6.1.0]non-4-en-4-amine.

Molecular Properties

Compound Name(4Z)-5-[amino(butyl)amino]-9-ethylbicyclo[6.1.0]non-4-en-4-amine
PubChem CID145240232
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name(4Z)-5-[amino(butyl)amino]-9-ethylbicyclo[6.1.0]non-4-en-4-amine
SMILESCCCCN(N)/C1=C(\N)CCC2C(CC)C2CC1
InChIInChI=1S/C15H29N3/c1-3-5-10-18(17)15-9-7-13-11(4-2)12(13)6-8-14(15)16/h11-13H,3-10,16-17H2,1-2H3/b15-14-
InChIKeyBJUFRRUNHIBTLS-PFONDFGASA-N
XLogP2.98
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 (4Z)-5-[amino(butyl)amino]-9-ethylbicyclo[6.1.0]non-4-en-4-amine?
The IUPAC name of (4Z)-5-[amino(butyl)amino]-9-ethylbicyclo[6.1.0]non-4-en-4-amine (CID 145240232) is (4Z)-5-[amino(butyl)amino]-9-ethylbicyclo[6.1.0]non-4-en-4-amine.
What is the SMILES notation for (4Z)-5-[amino(butyl)amino]-9-ethylbicyclo[6.1.0]non-4-en-4-amine?
The canonical SMILES for (4Z)-5-[amino(butyl)amino]-9-ethylbicyclo[6.1.0]non-4-en-4-amine is CCCCN(N)/C1=C(\N)CCC2C(CC)C2CC1.
What is the InChIKey of (4Z)-5-[amino(butyl)amino]-9-ethylbicyclo[6.1.0]non-4-en-4-amine?
The InChIKey is BJUFRRUNHIBTLS-PFONDFGASA-N. The full InChI is InChI=1S/C15H29N3/c1-3-5-10-18(17)15-9-7-13-11(4-2)12(13)6-8-14(15)16/h11-13H,3-10,16-17H2,1-2H3/b15-14-.
What are the key properties of (4Z)-5-[amino(butyl)amino]-9-ethylbicyclo[6.1.0]non-4-en-4-amine?
(4Z)-5-[amino(butyl)amino]-9-ethylbicyclo[6.1.0]non-4-en-4-amine has a molecular weight of 251.42 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-[amino(butyl)amino]-9-ethylbicyclo[6.1.0]non-4-en-4-amine is sourced from PubChem (CID 145240232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).