(1Z,3Z)-N-ethyl-2-methylhexa-1,3,5-trien-1-amine

C9H15N — CID 126710731

IUPAC(1Z,3Z)-N-ethyl-2-methylhexa-1,3,5-trien-1-amine
SMILESC=C/C=C\C(C)=C/NCC
InChIInChI=1S/C9H15N/c1-4-6-7-9(3)8-10-5-2/h4,6-8,10H,1,5H2,2-3H3/b7-6-,9-8-
InChIKeyZWJYMCIGGRNWRF-JPDBVBESSA-N
MW137.23 g/mol
LogP2.24
Rot. Bonds4

About (1Z,3Z)-N-ethyl-2-methylhexa-1,3,5-trien-1-amine

(1Z,3Z)-N-ethyl-2-methylhexa-1,3,5-trien-1-amine (PubChem CID 126710731) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (1Z,3Z)-N-ethyl-2-methylhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-N-ethyl-2-methylhexa-1,3,5-trien-1-amine
PubChem CID126710731
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(1Z,3Z)-N-ethyl-2-methylhexa-1,3,5-trien-1-amine
SMILESC=C/C=C\C(C)=C/NCC
InChIInChI=1S/C9H15N/c1-4-6-7-9(3)8-10-5-2/h4,6-8,10H,1,5H2,2-3H3/b7-6-,9-8-
InChIKeyZWJYMCIGGRNWRF-JPDBVBESSA-N
XLogP2.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.24
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 (1Z,3Z)-N-ethyl-2-methylhexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z)-N-ethyl-2-methylhexa-1,3,5-trien-1-amine (CID 126710731) is (1Z,3Z)-N-ethyl-2-methylhexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z)-N-ethyl-2-methylhexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z)-N-ethyl-2-methylhexa-1,3,5-trien-1-amine is C=C/C=C\C(C)=C/NCC.
What is the InChIKey of (1Z,3Z)-N-ethyl-2-methylhexa-1,3,5-trien-1-amine?
The InChIKey is ZWJYMCIGGRNWRF-JPDBVBESSA-N. The full InChI is InChI=1S/C9H15N/c1-4-6-7-9(3)8-10-5-2/h4,6-8,10H,1,5H2,2-3H3/b7-6-,9-8-.
What are the key properties of (1Z,3Z)-N-ethyl-2-methylhexa-1,3,5-trien-1-amine?
(1Z,3Z)-N-ethyl-2-methylhexa-1,3,5-trien-1-amine has a molecular weight of 137.23 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-N-ethyl-2-methylhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 126710731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).