(E)-N,3-dimethyl-4-methyliminohept-2-en-2-amine

C10H20N2 — CID 134567686

IUPAC(E)-N,3-dimethyl-4-methyliminohept-2-en-2-amine
SMILESCCCC(=N\C)/C(C)=C(\C)NC
InChIInChI=1S/C10H20N2/c1-6-7-10(12-5)8(2)9(3)11-4/h11H,6-7H2,1-5H3/b9-8+,12-10+
InChIKeyAESOBHPVWIMERK-CDKJVOIVSA-N
MW168.28 g/mol
LogP2.37
Rot. Bonds4

About (E)-N,3-dimethyl-4-methyliminohept-2-en-2-amine

(E)-N,3-dimethyl-4-methyliminohept-2-en-2-amine (PubChem CID 134567686) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (E)-N,3-dimethyl-4-methyliminohept-2-en-2-amine.

Molecular Properties

Compound Name(E)-N,3-dimethyl-4-methyliminohept-2-en-2-amine
PubChem CID134567686
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(E)-N,3-dimethyl-4-methyliminohept-2-en-2-amine
SMILESCCCC(=N\C)/C(C)=C(\C)NC
InChIInChI=1S/C10H20N2/c1-6-7-10(12-5)8(2)9(3)11-4/h11H,6-7H2,1-5H3/b9-8+,12-10+
InChIKeyAESOBHPVWIMERK-CDKJVOIVSA-N
XLogP2.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N,3-dimethyl-4-methyliminohept-2-en-2-amine?
The IUPAC name of (E)-N,3-dimethyl-4-methyliminohept-2-en-2-amine (CID 134567686) is (E)-N,3-dimethyl-4-methyliminohept-2-en-2-amine.
What is the SMILES notation for (E)-N,3-dimethyl-4-methyliminohept-2-en-2-amine?
The canonical SMILES for (E)-N,3-dimethyl-4-methyliminohept-2-en-2-amine is CCCC(=N\C)/C(C)=C(\C)NC.
What is the InChIKey of (E)-N,3-dimethyl-4-methyliminohept-2-en-2-amine?
The InChIKey is AESOBHPVWIMERK-CDKJVOIVSA-N. The full InChI is InChI=1S/C10H20N2/c1-6-7-10(12-5)8(2)9(3)11-4/h11H,6-7H2,1-5H3/b9-8+,12-10+.
What are the key properties of (E)-N,3-dimethyl-4-methyliminohept-2-en-2-amine?
(E)-N,3-dimethyl-4-methyliminohept-2-en-2-amine has a molecular weight of 168.28 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,3-dimethyl-4-methyliminohept-2-en-2-amine is sourced from PubChem (CID 134567686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).