(2E,4Z)-N,3-dimethyl-N-propan-2-ylhepta-2,4,6-trien-2-amine

C12H21N — CID 146596100

IUPAC(2E,4Z)-N,3-dimethyl-N-propan-2-ylhepta-2,4,6-trien-2-amine
SMILESC=C/C=C\C(C)=C(/C)N(C)C(C)C
InChIInChI=1S/C12H21N/c1-7-8-9-11(4)12(5)13(6)10(2)3/h7-10H,1H2,2-6H3/b9-8-,12-11+
InChIKeyORVMLMKCZWXYMU-UONSLQGUSA-N
MW179.31 g/mol
LogP3.36
Rot. Bonds4

About (2E,4Z)-N,3-dimethyl-N-propan-2-ylhepta-2,4,6-trien-2-amine

(2E,4Z)-N,3-dimethyl-N-propan-2-ylhepta-2,4,6-trien-2-amine (PubChem CID 146596100) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (2E,4Z)-N,3-dimethyl-N-propan-2-ylhepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2E,4Z)-N,3-dimethyl-N-propan-2-ylhepta-2,4,6-trien-2-amine
PubChem CID146596100
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(2E,4Z)-N,3-dimethyl-N-propan-2-ylhepta-2,4,6-trien-2-amine
SMILESC=C/C=C\C(C)=C(/C)N(C)C(C)C
InChIInChI=1S/C12H21N/c1-7-8-9-11(4)12(5)13(6)10(2)3/h7-10H,1H2,2-6H3/b9-8-,12-11+
InChIKeyORVMLMKCZWXYMU-UONSLQGUSA-N
XLogP3.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.36
H-Bond Donors ≤ 50
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)-N,3-dimethyl-N-propan-2-ylhepta-2,4,6-trien-2-amine?
The IUPAC name of (2E,4Z)-N,3-dimethyl-N-propan-2-ylhepta-2,4,6-trien-2-amine (CID 146596100) is (2E,4Z)-N,3-dimethyl-N-propan-2-ylhepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2E,4Z)-N,3-dimethyl-N-propan-2-ylhepta-2,4,6-trien-2-amine?
The canonical SMILES for (2E,4Z)-N,3-dimethyl-N-propan-2-ylhepta-2,4,6-trien-2-amine is C=C/C=C\C(C)=C(/C)N(C)C(C)C.
What is the InChIKey of (2E,4Z)-N,3-dimethyl-N-propan-2-ylhepta-2,4,6-trien-2-amine?
The InChIKey is ORVMLMKCZWXYMU-UONSLQGUSA-N. The full InChI is InChI=1S/C12H21N/c1-7-8-9-11(4)12(5)13(6)10(2)3/h7-10H,1H2,2-6H3/b9-8-,12-11+.
What are the key properties of (2E,4Z)-N,3-dimethyl-N-propan-2-ylhepta-2,4,6-trien-2-amine?
(2E,4Z)-N,3-dimethyl-N-propan-2-ylhepta-2,4,6-trien-2-amine has a molecular weight of 179.31 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N,3-dimethyl-N-propan-2-ylhepta-2,4,6-trien-2-amine is sourced from PubChem (CID 146596100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).