(3E)-N-(2-iminopropyl)-N,3-dimethyl-5-methylidenehepta-1,3-dien-2-amine

C13H22N2 — CID 88556027

IUPAC(3E)-N-(2-iminopropyl)-N,3-dimethyl-5-methylidenehepta-1,3-dien-2-amine
SMILES[H]/N=C(\C)CN(C)C(=C)/C(C)=C/C(=C)CC
InChIInChI=1S/C13H22N2/c1-7-10(2)8-11(3)13(5)15(6)9-12(4)14/h8,14H,2,5,7,9H2,1,3-4,6H3/b11-8+,14-12+
InChIKeyAZKMSHPEARGNLD-RKZGRAQHSA-N
MW206.33 g/mol
LogP3.38
Rot. Bonds6

About (3E)-N-(2-iminopropyl)-N,3-dimethyl-5-methylidenehepta-1,3-dien-2-amine

(3E)-N-(2-iminopropyl)-N,3-dimethyl-5-methylidenehepta-1,3-dien-2-amine (PubChem CID 88556027) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (3E)-N-(2-iminopropyl)-N,3-dimethyl-5-methylidenehepta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-N-(2-iminopropyl)-N,3-dimethyl-5-methylidenehepta-1,3-dien-2-amine
PubChem CID88556027
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(3E)-N-(2-iminopropyl)-N,3-dimethyl-5-methylidenehepta-1,3-dien-2-amine
SMILES[H]/N=C(\C)CN(C)C(=C)/C(C)=C/C(=C)CC
InChIInChI=1S/C13H22N2/c1-7-10(2)8-11(3)13(5)15(6)9-12(4)14/h8,14H,2,5,7,9H2,1,3-4,6H3/b11-8+,14-12+
InChIKeyAZKMSHPEARGNLD-RKZGRAQHSA-N
XLogP3.38
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-N-(2-iminopropyl)-N,3-dimethyl-5-methylidenehepta-1,3-dien-2-amine?
The IUPAC name of (3E)-N-(2-iminopropyl)-N,3-dimethyl-5-methylidenehepta-1,3-dien-2-amine (CID 88556027) is (3E)-N-(2-iminopropyl)-N,3-dimethyl-5-methylidenehepta-1,3-dien-2-amine.
What is the SMILES notation for (3E)-N-(2-iminopropyl)-N,3-dimethyl-5-methylidenehepta-1,3-dien-2-amine?
The canonical SMILES for (3E)-N-(2-iminopropyl)-N,3-dimethyl-5-methylidenehepta-1,3-dien-2-amine is [H]/N=C(\C)CN(C)C(=C)/C(C)=C/C(=C)CC.
What is the InChIKey of (3E)-N-(2-iminopropyl)-N,3-dimethyl-5-methylidenehepta-1,3-dien-2-amine?
The InChIKey is AZKMSHPEARGNLD-RKZGRAQHSA-N. The full InChI is InChI=1S/C13H22N2/c1-7-10(2)8-11(3)13(5)15(6)9-12(4)14/h8,14H,2,5,7,9H2,1,3-4,6H3/b11-8+,14-12+.
What are the key properties of (3E)-N-(2-iminopropyl)-N,3-dimethyl-5-methylidenehepta-1,3-dien-2-amine?
(3E)-N-(2-iminopropyl)-N,3-dimethyl-5-methylidenehepta-1,3-dien-2-amine has a molecular weight of 206.33 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-(2-iminopropyl)-N,3-dimethyl-5-methylidenehepta-1,3-dien-2-amine is sourced from PubChem (CID 88556027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).