(2E,4Z)-2,5-dimethyl-N-propan-2-ylhepta-2,4,6-trien-1-amine

C12H21N — CID 134254937

IUPAC(2E,4Z)-2,5-dimethyl-N-propan-2-ylhepta-2,4,6-trien-1-amine
SMILESC=C/C(C)=C\C=C(/C)CNC(C)C
InChIInChI=1S/C12H21N/c1-6-11(4)7-8-12(5)9-13-10(2)3/h6-8,10,13H,1,9H2,2-5H3/b11-7-,12-8+
InChIKeyRJKZGOOPZMIXGJ-NTLHZVPKSA-N
MW179.31 g/mol
LogP3.06
Rot. Bonds5

About (2E,4Z)-2,5-dimethyl-N-propan-2-ylhepta-2,4,6-trien-1-amine

(2E,4Z)-2,5-dimethyl-N-propan-2-ylhepta-2,4,6-trien-1-amine (PubChem CID 134254937) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (2E,4Z)-2,5-dimethyl-N-propan-2-ylhepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2E,4Z)-2,5-dimethyl-N-propan-2-ylhepta-2,4,6-trien-1-amine
PubChem CID134254937
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(2E,4Z)-2,5-dimethyl-N-propan-2-ylhepta-2,4,6-trien-1-amine
SMILESC=C/C(C)=C\C=C(/C)CNC(C)C
InChIInChI=1S/C12H21N/c1-6-11(4)7-8-12(5)9-13-10(2)3/h6-8,10,13H,1,9H2,2-5H3/b11-7-,12-8+
InChIKeyRJKZGOOPZMIXGJ-NTLHZVPKSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.06
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 (2E,4Z)-2,5-dimethyl-N-propan-2-ylhepta-2,4,6-trien-1-amine?
The IUPAC name of (2E,4Z)-2,5-dimethyl-N-propan-2-ylhepta-2,4,6-trien-1-amine (CID 134254937) is (2E,4Z)-2,5-dimethyl-N-propan-2-ylhepta-2,4,6-trien-1-amine.
What is the SMILES notation for (2E,4Z)-2,5-dimethyl-N-propan-2-ylhepta-2,4,6-trien-1-amine?
The canonical SMILES for (2E,4Z)-2,5-dimethyl-N-propan-2-ylhepta-2,4,6-trien-1-amine is C=C/C(C)=C\C=C(/C)CNC(C)C.
What is the InChIKey of (2E,4Z)-2,5-dimethyl-N-propan-2-ylhepta-2,4,6-trien-1-amine?
The InChIKey is RJKZGOOPZMIXGJ-NTLHZVPKSA-N. The full InChI is InChI=1S/C12H21N/c1-6-11(4)7-8-12(5)9-13-10(2)3/h6-8,10,13H,1,9H2,2-5H3/b11-7-,12-8+.
What are the key properties of (2E,4Z)-2,5-dimethyl-N-propan-2-ylhepta-2,4,6-trien-1-amine?
(2E,4Z)-2,5-dimethyl-N-propan-2-ylhepta-2,4,6-trien-1-amine has a molecular weight of 179.31 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2,5-dimethyl-N-propan-2-ylhepta-2,4,6-trien-1-amine is sourced from PubChem (CID 134254937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).