3-methyl-4-(propan-2-ylideneamino)but-3-en-1-amine

C8H16N2 — CID 174279386

IUPAC3-methyl-4-(propan-2-ylideneamino)but-3-en-1-amine
SMILESCC(=CN=C(C)C)CCN
InChIInChI=1S/C8H16N2/c1-7(2)10-6-8(3)4-5-9/h6H,4-5,9H2,1-3H3
InChIKeyDPWZHCIPSSMWMH-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.72
Rot. Bonds3

About 3-methyl-4-(propan-2-ylideneamino)but-3-en-1-amine

3-methyl-4-(propan-2-ylideneamino)but-3-en-1-amine (PubChem CID 174279386) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-methyl-4-(propan-2-ylideneamino)but-3-en-1-amine.

Molecular Properties

Compound Name3-methyl-4-(propan-2-ylideneamino)but-3-en-1-amine
PubChem CID174279386
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name3-methyl-4-(propan-2-ylideneamino)but-3-en-1-amine
SMILESCC(=CN=C(C)C)CCN
InChIInChI=1S/C8H16N2/c1-7(2)10-6-8(3)4-5-9/h6H,4-5,9H2,1-3H3
InChIKeyDPWZHCIPSSMWMH-UHFFFAOYSA-N
XLogP1.72
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.72
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 3-methyl-4-(propan-2-ylideneamino)but-3-en-1-amine?
The IUPAC name of 3-methyl-4-(propan-2-ylideneamino)but-3-en-1-amine (CID 174279386) is 3-methyl-4-(propan-2-ylideneamino)but-3-en-1-amine.
What is the SMILES notation for 3-methyl-4-(propan-2-ylideneamino)but-3-en-1-amine?
The canonical SMILES for 3-methyl-4-(propan-2-ylideneamino)but-3-en-1-amine is CC(=CN=C(C)C)CCN.
What is the InChIKey of 3-methyl-4-(propan-2-ylideneamino)but-3-en-1-amine?
The InChIKey is DPWZHCIPSSMWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-7(2)10-6-8(3)4-5-9/h6H,4-5,9H2,1-3H3.
What are the key properties of 3-methyl-4-(propan-2-ylideneamino)but-3-en-1-amine?
3-methyl-4-(propan-2-ylideneamino)but-3-en-1-amine has a molecular weight of 140.23 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(propan-2-ylideneamino)but-3-en-1-amine is sourced from PubChem (CID 174279386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).