4-cyclopropylidene-N-methylbutan-1-amine

C8H15N — CID 148973354

IUPAC4-cyclopropylidene-N-methylbutan-1-amine
SMILESCNCCCC=C1CC1
InChIInChI=1S/C8H15N/c1-9-7-3-2-4-8-5-6-8/h4,9H,2-3,5-7H2,1H3
InChIKeyPUHWKUVBXKKJOK-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.71
Rot. Bonds4

About 4-cyclopropylidene-N-methylbutan-1-amine

4-cyclopropylidene-N-methylbutan-1-amine (PubChem CID 148973354) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 4-cyclopropylidene-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-cyclopropylidene-N-methylbutan-1-amine
PubChem CID148973354
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name4-cyclopropylidene-N-methylbutan-1-amine
SMILESCNCCCC=C1CC1
InChIInChI=1S/C8H15N/c1-9-7-3-2-4-8-5-6-8/h4,9H,2-3,5-7H2,1H3
InChIKeyPUHWKUVBXKKJOK-UHFFFAOYSA-N
XLogP1.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

heptadecylidenecyclopropane
CID 19760704
pentylidenecyclopentadecane
CID 151655236
ethyl 4-[4-[3-(methylamino)propyl]cyclohexylidene]butanoate
CID 169258612
carbon monoxide;5-chloropentylidenecyclopropane
CID 88603406
N-methylhept-4-en-1-amine
CID 122695118
20-(methylamino)icosanal
CID 177224793
ethane;8-(methylamino)octanal
CID 164864481
4-(methylamino)butanal;N-methylbutan-1-amine
CID 143130066
N,5-dimethylhex-4-en-1-amine;ethane
CID 145111229
ethane;9-(methylamino)nonanal
CID 164864319
4-hexylidenepiperidine;hydrochloride
CID 18963728
N-methyl-2-(oxan-4-ylidene)ethanamine
CID 115011419

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylidene-N-methylbutan-1-amine?
The IUPAC name of 4-cyclopropylidene-N-methylbutan-1-amine (CID 148973354) is 4-cyclopropylidene-N-methylbutan-1-amine.
What is the SMILES notation for 4-cyclopropylidene-N-methylbutan-1-amine?
The canonical SMILES for 4-cyclopropylidene-N-methylbutan-1-amine is CNCCCC=C1CC1.
What is the InChIKey of 4-cyclopropylidene-N-methylbutan-1-amine?
The InChIKey is PUHWKUVBXKKJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-9-7-3-2-4-8-5-6-8/h4,9H,2-3,5-7H2,1H3.
What are the key properties of 4-cyclopropylidene-N-methylbutan-1-amine?
4-cyclopropylidene-N-methylbutan-1-amine has a molecular weight of 125.21 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylidene-N-methylbutan-1-amine is sourced from PubChem (CID 148973354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).