(Z)-4-methyl-2-(propan-2-ylideneamino)pent-2-en-3-amine

C9H18N2 — CID 89494468

IUPAC(Z)-4-methyl-2-(propan-2-ylideneamino)pent-2-en-3-amine
SMILESCC(C)=N/C(C)=C(\N)C(C)C
InChIInChI=1S/C9H18N2/c1-6(2)9(10)8(5)11-7(3)4/h6H,10H2,1-5H3/b9-8-
InChIKeyHVMPESWBLZOLAK-HJWRWDBZSA-N
MW154.26 g/mol
LogP2.31
Rot. Bonds2

About (Z)-4-methyl-2-(propan-2-ylideneamino)pent-2-en-3-amine

(Z)-4-methyl-2-(propan-2-ylideneamino)pent-2-en-3-amine (PubChem CID 89494468) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (Z)-4-methyl-2-(propan-2-ylideneamino)pent-2-en-3-amine.

Molecular Properties

Compound Name(Z)-4-methyl-2-(propan-2-ylideneamino)pent-2-en-3-amine
PubChem CID89494468
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(Z)-4-methyl-2-(propan-2-ylideneamino)pent-2-en-3-amine
SMILESCC(C)=N/C(C)=C(\N)C(C)C
InChIInChI=1S/C9H18N2/c1-6(2)9(10)8(5)11-7(3)4/h6H,10H2,1-5H3/b9-8-
InChIKeyHVMPESWBLZOLAK-HJWRWDBZSA-N
XLogP2.31
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.31
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 (Z)-4-methyl-2-(propan-2-ylideneamino)pent-2-en-3-amine?
The IUPAC name of (Z)-4-methyl-2-(propan-2-ylideneamino)pent-2-en-3-amine (CID 89494468) is (Z)-4-methyl-2-(propan-2-ylideneamino)pent-2-en-3-amine.
What is the SMILES notation for (Z)-4-methyl-2-(propan-2-ylideneamino)pent-2-en-3-amine?
The canonical SMILES for (Z)-4-methyl-2-(propan-2-ylideneamino)pent-2-en-3-amine is CC(C)=N/C(C)=C(\N)C(C)C.
What is the InChIKey of (Z)-4-methyl-2-(propan-2-ylideneamino)pent-2-en-3-amine?
The InChIKey is HVMPESWBLZOLAK-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H18N2/c1-6(2)9(10)8(5)11-7(3)4/h6H,10H2,1-5H3/b9-8-.
What are the key properties of (Z)-4-methyl-2-(propan-2-ylideneamino)pent-2-en-3-amine?
(Z)-4-methyl-2-(propan-2-ylideneamino)pent-2-en-3-amine has a molecular weight of 154.26 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyl-2-(propan-2-ylideneamino)pent-2-en-3-amine is sourced from PubChem (CID 89494468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).