3-(2-methylcyclobuten-1-yl)but-3-en-1-amine

C9H15N — CID 163975910

IUPAC3-(2-methylcyclobuten-1-yl)but-3-en-1-amine
SMILESC=C(CCN)C1=C(C)CC1
InChIInChI=1S/C9H15N/c1-7-3-4-9(7)8(2)5-6-10/h2-6,10H2,1H3
InChIKeySUCHEHGXNAQHQL-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.00
Rot. Bonds3

About 3-(2-methylcyclobuten-1-yl)but-3-en-1-amine

3-(2-methylcyclobuten-1-yl)but-3-en-1-amine (PubChem CID 163975910) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 3-(2-methylcyclobuten-1-yl)but-3-en-1-amine.

Molecular Properties

Compound Name3-(2-methylcyclobuten-1-yl)but-3-en-1-amine
PubChem CID163975910
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name3-(2-methylcyclobuten-1-yl)but-3-en-1-amine
SMILESC=C(CCN)C1=C(C)CC1
InChIInChI=1S/C9H15N/c1-7-3-4-9(7)8(2)5-6-10/h2-6,10H2,1H3
InChIKeySUCHEHGXNAQHQL-UHFFFAOYSA-N
XLogP2.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylcyclobuten-1-yl)but-3-en-1-amine?
The IUPAC name of 3-(2-methylcyclobuten-1-yl)but-3-en-1-amine (CID 163975910) is 3-(2-methylcyclobuten-1-yl)but-3-en-1-amine.
What is the SMILES notation for 3-(2-methylcyclobuten-1-yl)but-3-en-1-amine?
The canonical SMILES for 3-(2-methylcyclobuten-1-yl)but-3-en-1-amine is C=C(CCN)C1=C(C)CC1.
What is the InChIKey of 3-(2-methylcyclobuten-1-yl)but-3-en-1-amine?
The InChIKey is SUCHEHGXNAQHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-7-3-4-9(7)8(2)5-6-10/h2-6,10H2,1H3.
What are the key properties of 3-(2-methylcyclobuten-1-yl)but-3-en-1-amine?
3-(2-methylcyclobuten-1-yl)but-3-en-1-amine has a molecular weight of 137.23 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylcyclobuten-1-yl)but-3-en-1-amine is sourced from PubChem (CID 163975910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).