(3E,5Z)-3-ethyl-2-methylhepta-1,3,5-trien-4-amine

C10H17N — CID 138613612

IUPAC(3E,5Z)-3-ethyl-2-methylhepta-1,3,5-trien-4-amine
SMILESC=C(C)/C(CC)=C(N)\C=C/C
InChIInChI=1S/C10H17N/c1-5-7-10(11)9(6-2)8(3)4/h5,7H,3,6,11H2,1-2,4H3/b7-5-,10-9+
InChIKeyUKYMLPIQNVDMGS-ROBNAOGRSA-N
MW151.25 g/mol
LogP2.76
Rot. Bonds3

About (3E,5Z)-3-ethyl-2-methylhepta-1,3,5-trien-4-amine

(3E,5Z)-3-ethyl-2-methylhepta-1,3,5-trien-4-amine (PubChem CID 138613612) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (3E,5Z)-3-ethyl-2-methylhepta-1,3,5-trien-4-amine.

Molecular Properties

Compound Name(3E,5Z)-3-ethyl-2-methylhepta-1,3,5-trien-4-amine
PubChem CID138613612
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(3E,5Z)-3-ethyl-2-methylhepta-1,3,5-trien-4-amine
SMILESC=C(C)/C(CC)=C(N)\C=C/C
InChIInChI=1S/C10H17N/c1-5-7-10(11)9(6-2)8(3)4/h5,7H,3,6,11H2,1-2,4H3/b7-5-,10-9+
InChIKeyUKYMLPIQNVDMGS-ROBNAOGRSA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-3-ethyl-2-methylhepta-1,3,5-trien-4-amine?
The IUPAC name of (3E,5Z)-3-ethyl-2-methylhepta-1,3,5-trien-4-amine (CID 138613612) is (3E,5Z)-3-ethyl-2-methylhepta-1,3,5-trien-4-amine.
What is the SMILES notation for (3E,5Z)-3-ethyl-2-methylhepta-1,3,5-trien-4-amine?
The canonical SMILES for (3E,5Z)-3-ethyl-2-methylhepta-1,3,5-trien-4-amine is C=C(C)/C(CC)=C(N)\C=C/C.
What is the InChIKey of (3E,5Z)-3-ethyl-2-methylhepta-1,3,5-trien-4-amine?
The InChIKey is UKYMLPIQNVDMGS-ROBNAOGRSA-N. The full InChI is InChI=1S/C10H17N/c1-5-7-10(11)9(6-2)8(3)4/h5,7H,3,6,11H2,1-2,4H3/b7-5-,10-9+.
What are the key properties of (3E,5Z)-3-ethyl-2-methylhepta-1,3,5-trien-4-amine?
(3E,5Z)-3-ethyl-2-methylhepta-1,3,5-trien-4-amine has a molecular weight of 151.25 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3-ethyl-2-methylhepta-1,3,5-trien-4-amine is sourced from PubChem (CID 138613612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).