1-(but-3-en-2-ylideneamino)-1-cyclopropyl-N-methylmethanamine

C9H16N2 — CID 123728348

IUPAC1-(but-3-en-2-ylideneamino)-1-cyclopropyl-N-methylmethanamine
SMILESC=CC(C)=NC(NC)C1CC1
InChIInChI=1S/C9H16N2/c1-4-7(2)11-9(10-3)8-5-6-8/h4,8-10H,1,5-6H2,2-3H3
InChIKeyOKTOFMLLAOCAKT-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.59
Rot. Bonds4

About 1-(but-3-en-2-ylideneamino)-1-cyclopropyl-N-methylmethanamine

1-(but-3-en-2-ylideneamino)-1-cyclopropyl-N-methylmethanamine (PubChem CID 123728348) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-(but-3-en-2-ylideneamino)-1-cyclopropyl-N-methylmethanamine.

Molecular Properties

Compound Name1-(but-3-en-2-ylideneamino)-1-cyclopropyl-N-methylmethanamine
PubChem CID123728348
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-(but-3-en-2-ylideneamino)-1-cyclopropyl-N-methylmethanamine
SMILESC=CC(C)=NC(NC)C1CC1
InChIInChI=1S/C9H16N2/c1-4-7(2)11-9(10-3)8-5-6-8/h4,8-10H,1,5-6H2,2-3H3
InChIKeyOKTOFMLLAOCAKT-UHFFFAOYSA-N
XLogP1.59
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(but-3-en-2-ylideneamino)-N-propylbutan-1-amine
CID 54075907

Frequently Asked Questions

What is the IUPAC name of 1-(but-3-en-2-ylideneamino)-1-cyclopropyl-N-methylmethanamine?
The IUPAC name of 1-(but-3-en-2-ylideneamino)-1-cyclopropyl-N-methylmethanamine (CID 123728348) is 1-(but-3-en-2-ylideneamino)-1-cyclopropyl-N-methylmethanamine.
What is the SMILES notation for 1-(but-3-en-2-ylideneamino)-1-cyclopropyl-N-methylmethanamine?
The canonical SMILES for 1-(but-3-en-2-ylideneamino)-1-cyclopropyl-N-methylmethanamine is C=CC(C)=NC(NC)C1CC1.
What is the InChIKey of 1-(but-3-en-2-ylideneamino)-1-cyclopropyl-N-methylmethanamine?
The InChIKey is OKTOFMLLAOCAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-7(2)11-9(10-3)8-5-6-8/h4,8-10H,1,5-6H2,2-3H3.
What are the key properties of 1-(but-3-en-2-ylideneamino)-1-cyclopropyl-N-methylmethanamine?
1-(but-3-en-2-ylideneamino)-1-cyclopropyl-N-methylmethanamine has a molecular weight of 152.24 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(but-3-en-2-ylideneamino)-1-cyclopropyl-N-methylmethanamine is sourced from PubChem (CID 123728348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).