(E)-N,2-dimethyl-N-[(3E)-3-methylpenta-1,3-dien-2-yl]pent-2-en-1-amine

C13H23N — CID 130242928

IUPAC(E)-N,2-dimethyl-N-[(3E)-3-methylpenta-1,3-dien-2-yl]pent-2-en-1-amine
SMILESC=C(/C(C)=C/C)N(C)C/C(C)=C/CC
InChIInChI=1S/C13H23N/c1-7-9-11(3)10-14(6)13(5)12(4)8-2/h8-9H,5,7,10H2,1-4,6H3/b11-9+,12-8+
InChIKeyGVZFMSFRCHZPHY-FYDMFQIUSA-N
MW193.33 g/mol
LogP3.75
Rot. Bonds5

About (E)-N,2-dimethyl-N-[(3E)-3-methylpenta-1,3-dien-2-yl]pent-2-en-1-amine

(E)-N,2-dimethyl-N-[(3E)-3-methylpenta-1,3-dien-2-yl]pent-2-en-1-amine (PubChem CID 130242928) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (E)-N,2-dimethyl-N-[(3E)-3-methylpenta-1,3-dien-2-yl]pent-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,2-dimethyl-N-[(3E)-3-methylpenta-1,3-dien-2-yl]pent-2-en-1-amine
PubChem CID130242928
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(E)-N,2-dimethyl-N-[(3E)-3-methylpenta-1,3-dien-2-yl]pent-2-en-1-amine
SMILESC=C(/C(C)=C/C)N(C)C/C(C)=C/CC
InChIInChI=1S/C13H23N/c1-7-9-11(3)10-14(6)13(5)12(4)8-2/h8-9H,5,7,10H2,1-4,6H3/b11-9+,12-8+
InChIKeyGVZFMSFRCHZPHY-FYDMFQIUSA-N
XLogP3.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 129083859
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CID 134449399
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Frequently Asked Questions

What is the IUPAC name of (E)-N,2-dimethyl-N-[(3E)-3-methylpenta-1,3-dien-2-yl]pent-2-en-1-amine?
The IUPAC name of (E)-N,2-dimethyl-N-[(3E)-3-methylpenta-1,3-dien-2-yl]pent-2-en-1-amine (CID 130242928) is (E)-N,2-dimethyl-N-[(3E)-3-methylpenta-1,3-dien-2-yl]pent-2-en-1-amine.
What is the SMILES notation for (E)-N,2-dimethyl-N-[(3E)-3-methylpenta-1,3-dien-2-yl]pent-2-en-1-amine?
The canonical SMILES for (E)-N,2-dimethyl-N-[(3E)-3-methylpenta-1,3-dien-2-yl]pent-2-en-1-amine is C=C(/C(C)=C/C)N(C)C/C(C)=C/CC.
What is the InChIKey of (E)-N,2-dimethyl-N-[(3E)-3-methylpenta-1,3-dien-2-yl]pent-2-en-1-amine?
The InChIKey is GVZFMSFRCHZPHY-FYDMFQIUSA-N. The full InChI is InChI=1S/C13H23N/c1-7-9-11(3)10-14(6)13(5)12(4)8-2/h8-9H,5,7,10H2,1-4,6H3/b11-9+,12-8+.
What are the key properties of (E)-N,2-dimethyl-N-[(3E)-3-methylpenta-1,3-dien-2-yl]pent-2-en-1-amine?
(E)-N,2-dimethyl-N-[(3E)-3-methylpenta-1,3-dien-2-yl]pent-2-en-1-amine has a molecular weight of 193.33 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,2-dimethyl-N-[(3E)-3-methylpenta-1,3-dien-2-yl]pent-2-en-1-amine is sourced from PubChem (CID 130242928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).