(Z)-N,N-dimethyl-2,5-dimethylidenehept-3-en-6-yn-1-amine

C11H15N — CID 142308985

IUPAC(Z)-N,N-dimethyl-2,5-dimethylidenehept-3-en-6-yn-1-amine
SMILESC#CC(=C)/C=C\C(=C)CN(C)C
InChIInChI=1S/C11H15N/c1-6-10(2)7-8-11(3)9-12(4)5/h1,7-8H,2-3,9H2,4-5H3/b8-7-
InChIKeyVLAVJWIWSRINHJ-FPLPWBNLSA-N
MW161.25 g/mol
LogP1.85
Rot. Bonds4

About (Z)-N,N-dimethyl-2,5-dimethylidenehept-3-en-6-yn-1-amine

(Z)-N,N-dimethyl-2,5-dimethylidenehept-3-en-6-yn-1-amine (PubChem CID 142308985) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (Z)-N,N-dimethyl-2,5-dimethylidenehept-3-en-6-yn-1-amine.

Molecular Properties

Compound Name(Z)-N,N-dimethyl-2,5-dimethylidenehept-3-en-6-yn-1-amine
PubChem CID142308985
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(Z)-N,N-dimethyl-2,5-dimethylidenehept-3-en-6-yn-1-amine
SMILESC#CC(=C)/C=C\C(=C)CN(C)C
InChIInChI=1S/C11H15N/c1-6-10(2)7-8-11(3)9-12(4)5/h1,7-8H,2-3,9H2,4-5H3/b8-7-
InChIKeyVLAVJWIWSRINHJ-FPLPWBNLSA-N
XLogP1.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-dimethyl-2,5-dimethylidenehept-3-en-6-yn-1-amine?
The IUPAC name of (Z)-N,N-dimethyl-2,5-dimethylidenehept-3-en-6-yn-1-amine (CID 142308985) is (Z)-N,N-dimethyl-2,5-dimethylidenehept-3-en-6-yn-1-amine.
What is the SMILES notation for (Z)-N,N-dimethyl-2,5-dimethylidenehept-3-en-6-yn-1-amine?
The canonical SMILES for (Z)-N,N-dimethyl-2,5-dimethylidenehept-3-en-6-yn-1-amine is C#CC(=C)/C=C\C(=C)CN(C)C.
What is the InChIKey of (Z)-N,N-dimethyl-2,5-dimethylidenehept-3-en-6-yn-1-amine?
The InChIKey is VLAVJWIWSRINHJ-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H15N/c1-6-10(2)7-8-11(3)9-12(4)5/h1,7-8H,2-3,9H2,4-5H3/b8-7-.
What are the key properties of (Z)-N,N-dimethyl-2,5-dimethylidenehept-3-en-6-yn-1-amine?
(Z)-N,N-dimethyl-2,5-dimethylidenehept-3-en-6-yn-1-amine has a molecular weight of 161.25 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-dimethyl-2,5-dimethylidenehept-3-en-6-yn-1-amine is sourced from PubChem (CID 142308985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).