(4Z,6Z)-N,5-dimethyl-N-propan-2-ylnona-4,6-dien-1-yn-3-amine

C14H23N — CID 154937822

IUPAC(4Z,6Z)-N,5-dimethyl-N-propan-2-ylnona-4,6-dien-1-yn-3-amine
SMILESC#CC(/C=C(C)\C=C/CC)N(C)C(C)C
InChIInChI=1S/C14H23N/c1-7-9-10-13(5)11-14(8-2)15(6)12(3)4/h2,9-12,14H,7H2,1,3-6H3/b10-9-,13-11-
InChIKeyTWFAFWYBVDEXBB-ZRQQEUPBSA-N
MW205.34 g/mol
LogP3.24
Rot. Bonds5

About (4Z,6Z)-N,5-dimethyl-N-propan-2-ylnona-4,6-dien-1-yn-3-amine

(4Z,6Z)-N,5-dimethyl-N-propan-2-ylnona-4,6-dien-1-yn-3-amine (PubChem CID 154937822) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (4Z,6Z)-N,5-dimethyl-N-propan-2-ylnona-4,6-dien-1-yn-3-amine.

Molecular Properties

Compound Name(4Z,6Z)-N,5-dimethyl-N-propan-2-ylnona-4,6-dien-1-yn-3-amine
PubChem CID154937822
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(4Z,6Z)-N,5-dimethyl-N-propan-2-ylnona-4,6-dien-1-yn-3-amine
SMILESC#CC(/C=C(C)\C=C/CC)N(C)C(C)C
InChIInChI=1S/C14H23N/c1-7-9-10-13(5)11-14(8-2)15(6)12(3)4/h2,9-12,14H,7H2,1,3-6H3/b10-9-,13-11-
InChIKeyTWFAFWYBVDEXBB-ZRQQEUPBSA-N
XLogP3.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.24
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 (4Z,6Z)-N,5-dimethyl-N-propan-2-ylnona-4,6-dien-1-yn-3-amine?
The IUPAC name of (4Z,6Z)-N,5-dimethyl-N-propan-2-ylnona-4,6-dien-1-yn-3-amine (CID 154937822) is (4Z,6Z)-N,5-dimethyl-N-propan-2-ylnona-4,6-dien-1-yn-3-amine.
What is the SMILES notation for (4Z,6Z)-N,5-dimethyl-N-propan-2-ylnona-4,6-dien-1-yn-3-amine?
The canonical SMILES for (4Z,6Z)-N,5-dimethyl-N-propan-2-ylnona-4,6-dien-1-yn-3-amine is C#CC(/C=C(C)\C=C/CC)N(C)C(C)C.
What is the InChIKey of (4Z,6Z)-N,5-dimethyl-N-propan-2-ylnona-4,6-dien-1-yn-3-amine?
The InChIKey is TWFAFWYBVDEXBB-ZRQQEUPBSA-N. The full InChI is InChI=1S/C14H23N/c1-7-9-10-13(5)11-14(8-2)15(6)12(3)4/h2,9-12,14H,7H2,1,3-6H3/b10-9-,13-11-.
What are the key properties of (4Z,6Z)-N,5-dimethyl-N-propan-2-ylnona-4,6-dien-1-yn-3-amine?
(4Z,6Z)-N,5-dimethyl-N-propan-2-ylnona-4,6-dien-1-yn-3-amine has a molecular weight of 205.34 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-N,5-dimethyl-N-propan-2-ylnona-4,6-dien-1-yn-3-amine is sourced from PubChem (CID 154937822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).