(3Z,5Z)-3-ethenyl-4-N,2-dimethylhepta-3,5-diene-1,4-diamine

C11H20N2 — CID 139375355

IUPAC(3Z,5Z)-3-ethenyl-4-N,2-dimethylhepta-3,5-diene-1,4-diamine
SMILESC=C/C(=C(\C=C/C)NC)C(C)CN
InChIInChI=1S/C11H20N2/c1-5-7-11(13-4)10(6-2)9(3)8-12/h5-7,9,13H,2,8,12H2,1,3-4H3/b7-5-,11-10-
InChIKeyIHUBJKUJBCRLSA-YLRXWAGNSA-N
MW180.29 g/mol
LogP1.82
Rot. Bonds5

About (3Z,5Z)-3-ethenyl-4-N,2-dimethylhepta-3,5-diene-1,4-diamine

(3Z,5Z)-3-ethenyl-4-N,2-dimethylhepta-3,5-diene-1,4-diamine (PubChem CID 139375355) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (3Z,5Z)-3-ethenyl-4-N,2-dimethylhepta-3,5-diene-1,4-diamine.

Molecular Properties

Compound Name(3Z,5Z)-3-ethenyl-4-N,2-dimethylhepta-3,5-diene-1,4-diamine
PubChem CID139375355
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(3Z,5Z)-3-ethenyl-4-N,2-dimethylhepta-3,5-diene-1,4-diamine
SMILESC=C/C(=C(\C=C/C)NC)C(C)CN
InChIInChI=1S/C11H20N2/c1-5-7-11(13-4)10(6-2)9(3)8-12/h5-7,9,13H,2,8,12H2,1,3-4H3/b7-5-,11-10-
InChIKeyIHUBJKUJBCRLSA-YLRXWAGNSA-N
XLogP1.82
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 20708622
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CID 21050415
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CID 23567921
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CID 60125641
CID 60125641

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-3-ethenyl-4-N,2-dimethylhepta-3,5-diene-1,4-diamine?
The IUPAC name of (3Z,5Z)-3-ethenyl-4-N,2-dimethylhepta-3,5-diene-1,4-diamine (CID 139375355) is (3Z,5Z)-3-ethenyl-4-N,2-dimethylhepta-3,5-diene-1,4-diamine.
What is the SMILES notation for (3Z,5Z)-3-ethenyl-4-N,2-dimethylhepta-3,5-diene-1,4-diamine?
The canonical SMILES for (3Z,5Z)-3-ethenyl-4-N,2-dimethylhepta-3,5-diene-1,4-diamine is C=C/C(=C(\C=C/C)NC)C(C)CN.
What is the InChIKey of (3Z,5Z)-3-ethenyl-4-N,2-dimethylhepta-3,5-diene-1,4-diamine?
The InChIKey is IHUBJKUJBCRLSA-YLRXWAGNSA-N. The full InChI is InChI=1S/C11H20N2/c1-5-7-11(13-4)10(6-2)9(3)8-12/h5-7,9,13H,2,8,12H2,1,3-4H3/b7-5-,11-10-.
What are the key properties of (3Z,5Z)-3-ethenyl-4-N,2-dimethylhepta-3,5-diene-1,4-diamine?
(3Z,5Z)-3-ethenyl-4-N,2-dimethylhepta-3,5-diene-1,4-diamine has a molecular weight of 180.29 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3-ethenyl-4-N,2-dimethylhepta-3,5-diene-1,4-diamine is sourced from PubChem (CID 139375355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).