(Z)-9-amino-2-ethyl-7-(3-methylbut-3-en-2-ylamino)-5-prop-2-enyldec-7-enenitrile

C20H35N3 — CID 130181476

IUPAC(Z)-9-amino-2-ethyl-7-(3-methylbut-3-en-2-ylamino)-5-prop-2-enyldec-7-enenitrile
SMILESC=CCC(CCC(C#N)CC)C/C(=C/C(C)N)NC(C)C(=C)C
InChIInChI=1S/C20H35N3/c1-7-9-19(11-10-18(8-2)14-21)13-20(12-16(5)22)23-17(6)15(3)4/h7,12,16-19,23H,1,3,8-11,13,22H2,2,4-6H3/b20-12-
InChIKeyCQQAMXPXWDNIEP-NDENLUEZSA-N
MW317.52 g/mol
LogP4.68
Rot. Bonds12

About (Z)-9-amino-2-ethyl-7-(3-methylbut-3-en-2-ylamino)-5-prop-2-enyldec-7-enenitrile

(Z)-9-amino-2-ethyl-7-(3-methylbut-3-en-2-ylamino)-5-prop-2-enyldec-7-enenitrile (PubChem CID 130181476) has the molecular formula C20H35N3 and a molecular weight of 317.52 g/mol. Its IUPAC name is (Z)-9-amino-2-ethyl-7-(3-methylbut-3-en-2-ylamino)-5-prop-2-enyldec-7-enenitrile.

Molecular Properties

Compound Name(Z)-9-amino-2-ethyl-7-(3-methylbut-3-en-2-ylamino)-5-prop-2-enyldec-7-enenitrile
PubChem CID130181476
Molecular FormulaC20H35N3
Molecular Weight317.52 g/mol
Exact Mass317.28
IUPAC Name(Z)-9-amino-2-ethyl-7-(3-methylbut-3-en-2-ylamino)-5-prop-2-enyldec-7-enenitrile
SMILESC=CCC(CCC(C#N)CC)C/C(=C/C(C)N)NC(C)C(=C)C
InChIInChI=1S/C20H35N3/c1-7-9-19(11-10-18(8-2)14-21)13-20(12-16(5)22)23-17(6)15(3)4/h7,12,16-19,23H,1,3,8-11,13,22H2,2,4-6H3/b20-12-
InChIKeyCQQAMXPXWDNIEP-NDENLUEZSA-N
XLogP4.68
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.52
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-9-amino-2-ethyl-7-(3-methylbut-3-en-2-ylamino)-5-prop-2-enyldec-7-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-9-amino-2-ethyl-7-(3-methylbut-3-en-2-ylamino)-5-prop-2-enyldec-7-enenitrile?
The IUPAC name of (Z)-9-amino-2-ethyl-7-(3-methylbut-3-en-2-ylamino)-5-prop-2-enyldec-7-enenitrile (CID 130181476) is (Z)-9-amino-2-ethyl-7-(3-methylbut-3-en-2-ylamino)-5-prop-2-enyldec-7-enenitrile.
What is the SMILES notation for (Z)-9-amino-2-ethyl-7-(3-methylbut-3-en-2-ylamino)-5-prop-2-enyldec-7-enenitrile?
The canonical SMILES for (Z)-9-amino-2-ethyl-7-(3-methylbut-3-en-2-ylamino)-5-prop-2-enyldec-7-enenitrile is C=CCC(CCC(C#N)CC)C/C(=C/C(C)N)NC(C)C(=C)C.
What is the InChIKey of (Z)-9-amino-2-ethyl-7-(3-methylbut-3-en-2-ylamino)-5-prop-2-enyldec-7-enenitrile?
The InChIKey is CQQAMXPXWDNIEP-NDENLUEZSA-N. The full InChI is InChI=1S/C20H35N3/c1-7-9-19(11-10-18(8-2)14-21)13-20(12-16(5)22)23-17(6)15(3)4/h7,12,16-19,23H,1,3,8-11,13,22H2,2,4-6H3/b20-12-.
What are the key properties of (Z)-9-amino-2-ethyl-7-(3-methylbut-3-en-2-ylamino)-5-prop-2-enyldec-7-enenitrile?
(Z)-9-amino-2-ethyl-7-(3-methylbut-3-en-2-ylamino)-5-prop-2-enyldec-7-enenitrile has a molecular weight of 317.52 g/mol, XLogP of 4.68, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-9-amino-2-ethyl-7-(3-methylbut-3-en-2-ylamino)-5-prop-2-enyldec-7-enenitrile is sourced from PubChem (CID 130181476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).