3-(3-iminobutan-2-ylideneamino)-4-methylpent-2-en-2-amine

C10H19N3 — CID 123992464

IUPAC3-(3-iminobutan-2-ylideneamino)-4-methylpent-2-en-2-amine
SMILES[H]/N=C(C)/C(C)=N/C(=C(C)N)C(C)C
InChIInChI=1S/C10H19N3/c1-6(2)10(8(4)12)13-9(5)7(3)11/h6,11H,12H2,1-5H3/b10-8?,11-7+,13-9+
InChIKeyWAMCKCQOCKBUDR-XMORJSQPSA-N
MW181.28 g/mol
LogP2.33
Rot. Bonds3

About 3-(3-iminobutan-2-ylideneamino)-4-methylpent-2-en-2-amine

3-(3-iminobutan-2-ylideneamino)-4-methylpent-2-en-2-amine (PubChem CID 123992464) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-(3-iminobutan-2-ylideneamino)-4-methylpent-2-en-2-amine.

Molecular Properties

Compound Name3-(3-iminobutan-2-ylideneamino)-4-methylpent-2-en-2-amine
PubChem CID123992464
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name3-(3-iminobutan-2-ylideneamino)-4-methylpent-2-en-2-amine
SMILES[H]/N=C(C)/C(C)=N/C(=C(C)N)C(C)C
InChIInChI=1S/C10H19N3/c1-6(2)10(8(4)12)13-9(5)7(3)11/h6,11H,12H2,1-5H3/b10-8?,11-7+,13-9+
InChIKeyWAMCKCQOCKBUDR-XMORJSQPSA-N
XLogP2.33
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-iminobutan-2-ylideneamino)-4-methylpent-2-en-2-amine?
The IUPAC name of 3-(3-iminobutan-2-ylideneamino)-4-methylpent-2-en-2-amine (CID 123992464) is 3-(3-iminobutan-2-ylideneamino)-4-methylpent-2-en-2-amine.
What is the SMILES notation for 3-(3-iminobutan-2-ylideneamino)-4-methylpent-2-en-2-amine?
The canonical SMILES for 3-(3-iminobutan-2-ylideneamino)-4-methylpent-2-en-2-amine is [H]/N=C(C)/C(C)=N/C(=C(C)N)C(C)C.
What is the InChIKey of 3-(3-iminobutan-2-ylideneamino)-4-methylpent-2-en-2-amine?
The InChIKey is WAMCKCQOCKBUDR-XMORJSQPSA-N. The full InChI is InChI=1S/C10H19N3/c1-6(2)10(8(4)12)13-9(5)7(3)11/h6,11H,12H2,1-5H3/b10-8?,11-7+,13-9+.
What are the key properties of 3-(3-iminobutan-2-ylideneamino)-4-methylpent-2-en-2-amine?
3-(3-iminobutan-2-ylideneamino)-4-methylpent-2-en-2-amine has a molecular weight of 181.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-iminobutan-2-ylideneamino)-4-methylpent-2-en-2-amine is sourced from PubChem (CID 123992464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).