(2Z,4E)-4-ethenyl-5-methylhepta-2,4,6-trien-1-amine

C10H15N — CID 88585963

IUPAC(2Z,4E)-4-ethenyl-5-methylhepta-2,4,6-trien-1-amine
SMILESC=C/C(C)=C(C=C)/C=C\CN
InChIInChI=1S/C10H15N/c1-4-9(3)10(5-2)7-6-8-11/h4-7H,1-2,8,11H2,3H3/b7-6-,10-9+
InChIKeyQUWFBDDFEYRYPS-IXWMQOLASA-N
MW149.24 g/mol
LogP2.19
Rot. Bonds4

About (2Z,4E)-4-ethenyl-5-methylhepta-2,4,6-trien-1-amine

(2Z,4E)-4-ethenyl-5-methylhepta-2,4,6-trien-1-amine (PubChem CID 88585963) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (2Z,4E)-4-ethenyl-5-methylhepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2Z,4E)-4-ethenyl-5-methylhepta-2,4,6-trien-1-amine
PubChem CID88585963
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(2Z,4E)-4-ethenyl-5-methylhepta-2,4,6-trien-1-amine
SMILESC=C/C(C)=C(C=C)/C=C\CN
InChIInChI=1S/C10H15N/c1-4-9(3)10(5-2)7-6-8-11/h4-7H,1-2,8,11H2,3H3/b7-6-,10-9+
InChIKeyQUWFBDDFEYRYPS-IXWMQOLASA-N
XLogP2.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 533848
CID 533848
CID 17753774
CID 17753774
CID 130019175
CID 130019175
CID 130019176
CID 130019176
CID 21074092
CID 21074092
CID 21950499
CID 21950499
CID 55256059
CID 55256059
CID 55290579
CID 55290579
CID 63969670
CID 63969670
CID 91106318
CID 91106318
CID 15202921
CID 15202921
CID 53415115
CID 53415115

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-4-ethenyl-5-methylhepta-2,4,6-trien-1-amine?
The IUPAC name of (2Z,4E)-4-ethenyl-5-methylhepta-2,4,6-trien-1-amine (CID 88585963) is (2Z,4E)-4-ethenyl-5-methylhepta-2,4,6-trien-1-amine.
What is the SMILES notation for (2Z,4E)-4-ethenyl-5-methylhepta-2,4,6-trien-1-amine?
The canonical SMILES for (2Z,4E)-4-ethenyl-5-methylhepta-2,4,6-trien-1-amine is C=C/C(C)=C(C=C)/C=C\CN.
What is the InChIKey of (2Z,4E)-4-ethenyl-5-methylhepta-2,4,6-trien-1-amine?
The InChIKey is QUWFBDDFEYRYPS-IXWMQOLASA-N. The full InChI is InChI=1S/C10H15N/c1-4-9(3)10(5-2)7-6-8-11/h4-7H,1-2,8,11H2,3H3/b7-6-,10-9+.
What are the key properties of (2Z,4E)-4-ethenyl-5-methylhepta-2,4,6-trien-1-amine?
(2Z,4E)-4-ethenyl-5-methylhepta-2,4,6-trien-1-amine has a molecular weight of 149.24 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-4-ethenyl-5-methylhepta-2,4,6-trien-1-amine is sourced from PubChem (CID 88585963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).