[1-(3-methylbut-2-enyl)cyclopropyl]methanamine

C9H17N — CID 130515255

IUPAC[1-(3-methylbut-2-enyl)cyclopropyl]methanamine
SMILESCC(C)=CCC1(CN)CC1
InChIInChI=1S/C9H17N/c1-8(2)3-4-9(7-10)5-6-9/h3H,4-7,10H2,1-2H3
InChIKeyTUMDCRHEYSIEGK-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.08
Rot. Bonds3

About [1-(3-methylbut-2-enyl)cyclopropyl]methanamine

[1-(3-methylbut-2-enyl)cyclopropyl]methanamine (PubChem CID 130515255) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is [1-(3-methylbut-2-enyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(3-methylbut-2-enyl)cyclopropyl]methanamine
PubChem CID130515255
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name[1-(3-methylbut-2-enyl)cyclopropyl]methanamine
SMILESCC(C)=CCC1(CN)CC1
InChIInChI=1S/C9H17N/c1-8(2)3-4-9(7-10)5-6-9/h3H,4-7,10H2,1-2H3
InChIKeyTUMDCRHEYSIEGK-UHFFFAOYSA-N
XLogP2.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

formaldehyde;2-[1-(3-methylbut-2-enyl)cyclopropyl]acetaldehyde
CID 87279246
[1-(3-methylbut-2-enyl)cyclohexyl]methanol
CID 121012756
3-methyl-4-[1-(3-methylbut-2-enyl)cyclopropyl]butanal
CID 87388492
4-methyl-1-(3-methylbut-2-enyl)cyclohexan-1-amine
CID 164659630
5-[1-(3-methylbut-2-enyl)cyclobutyl]pentanal
CID 87388406
3-methyl-1-[1-(3-methylbut-2-enyl)cyclopentyl]butan-2-one
CID 91128613
1-ethenyl-1-(3-methylbut-2-enyl)cyclopentane
CID 90888982
2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]acetic acid
CID 10776157
2-[1-(aminomethyl)cyclopentyl]-N-methylacetamide
CID 82503215
[1-[(E)-3-chloroprop-2-enyl]cyclopentyl]methanamine
CID 130514671
[1-(aminomethyl)cyclopropyl]methylcarbamic acid
CID 89477777
3-fluoro-3-(3-methylbut-2-enyl)azetidine
CID 122239921

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylbut-2-enyl)cyclopropyl]methanamine?
The IUPAC name of [1-(3-methylbut-2-enyl)cyclopropyl]methanamine (CID 130515255) is [1-(3-methylbut-2-enyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(3-methylbut-2-enyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(3-methylbut-2-enyl)cyclopropyl]methanamine is CC(C)=CCC1(CN)CC1.
What is the InChIKey of [1-(3-methylbut-2-enyl)cyclopropyl]methanamine?
The InChIKey is TUMDCRHEYSIEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-8(2)3-4-9(7-10)5-6-9/h3H,4-7,10H2,1-2H3.
What are the key properties of [1-(3-methylbut-2-enyl)cyclopropyl]methanamine?
[1-(3-methylbut-2-enyl)cyclopropyl]methanamine has a molecular weight of 139.24 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylbut-2-enyl)cyclopropyl]methanamine is sourced from PubChem (CID 130515255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).