(1E,3Z)-2-(aminomethyl)-4-methyl-5-methylimino-1-N-propan-2-ylpenta-1,3-diene-1,3-diamine

C11H22N4 — CID 166999986

IUPAC(1E,3Z)-2-(aminomethyl)-4-methyl-5-methylimino-1-N-propan-2-ylpenta-1,3-diene-1,3-diamine
SMILESC/N=C/C(C)=C(N)/C(=C/NC(C)C)CN
InChIInChI=1S/C11H22N4/c1-8(2)15-7-10(5-12)11(13)9(3)6-14-4/h6-8,15H,5,12-13H2,1-4H3/b10-7+,11-9-,14-6+
InChIKeyIKDOOGPUHWLVHG-SZRWDVFBSA-N
MW210.32 g/mol
LogP0.76
Rot. Bonds5

About (1E,3Z)-2-(aminomethyl)-4-methyl-5-methylimino-1-N-propan-2-ylpenta-1,3-diene-1,3-diamine

(1E,3Z)-2-(aminomethyl)-4-methyl-5-methylimino-1-N-propan-2-ylpenta-1,3-diene-1,3-diamine (PubChem CID 166999986) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is (1E,3Z)-2-(aminomethyl)-4-methyl-5-methylimino-1-N-propan-2-ylpenta-1,3-diene-1,3-diamine.

Molecular Properties

Compound Name(1E,3Z)-2-(aminomethyl)-4-methyl-5-methylimino-1-N-propan-2-ylpenta-1,3-diene-1,3-diamine
PubChem CID166999986
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name(1E,3Z)-2-(aminomethyl)-4-methyl-5-methylimino-1-N-propan-2-ylpenta-1,3-diene-1,3-diamine
SMILESC/N=C/C(C)=C(N)/C(=C/NC(C)C)CN
InChIInChI=1S/C11H22N4/c1-8(2)15-7-10(5-12)11(13)9(3)6-14-4/h6-8,15H,5,12-13H2,1-4H3/b10-7+,11-9-,14-6+
InChIKeyIKDOOGPUHWLVHG-SZRWDVFBSA-N
XLogP0.76
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 (1E,3Z)-2-(aminomethyl)-4-methyl-5-methylimino-1-N-propan-2-ylpenta-1,3-diene-1,3-diamine?
The IUPAC name of (1E,3Z)-2-(aminomethyl)-4-methyl-5-methylimino-1-N-propan-2-ylpenta-1,3-diene-1,3-diamine (CID 166999986) is (1E,3Z)-2-(aminomethyl)-4-methyl-5-methylimino-1-N-propan-2-ylpenta-1,3-diene-1,3-diamine.
What is the SMILES notation for (1E,3Z)-2-(aminomethyl)-4-methyl-5-methylimino-1-N-propan-2-ylpenta-1,3-diene-1,3-diamine?
The canonical SMILES for (1E,3Z)-2-(aminomethyl)-4-methyl-5-methylimino-1-N-propan-2-ylpenta-1,3-diene-1,3-diamine is C/N=C/C(C)=C(N)/C(=C/NC(C)C)CN.
What is the InChIKey of (1E,3Z)-2-(aminomethyl)-4-methyl-5-methylimino-1-N-propan-2-ylpenta-1,3-diene-1,3-diamine?
The InChIKey is IKDOOGPUHWLVHG-SZRWDVFBSA-N. The full InChI is InChI=1S/C11H22N4/c1-8(2)15-7-10(5-12)11(13)9(3)6-14-4/h6-8,15H,5,12-13H2,1-4H3/b10-7+,11-9-,14-6+.
What are the key properties of (1E,3Z)-2-(aminomethyl)-4-methyl-5-methylimino-1-N-propan-2-ylpenta-1,3-diene-1,3-diamine?
(1E,3Z)-2-(aminomethyl)-4-methyl-5-methylimino-1-N-propan-2-ylpenta-1,3-diene-1,3-diamine has a molecular weight of 210.32 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-2-(aminomethyl)-4-methyl-5-methylimino-1-N-propan-2-ylpenta-1,3-diene-1,3-diamine is sourced from PubChem (CID 166999986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).