N-methyl-3-(4-methylcyclobut-2-en-1-yl)butan-1-amine

C10H19N — CID 123670727

IUPACN-methyl-3-(4-methylcyclobut-2-en-1-yl)butan-1-amine
SMILESCNCCC(C)C1C=CC1C
InChIInChI=1S/C10H19N/c1-8-4-5-10(8)9(2)6-7-11-3/h4-5,8-11H,6-7H2,1-3H3
InChIKeyXPZQCLDBQIXGFN-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.05
Rot. Bonds4

About N-methyl-3-(4-methylcyclobut-2-en-1-yl)butan-1-amine

N-methyl-3-(4-methylcyclobut-2-en-1-yl)butan-1-amine (PubChem CID 123670727) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-methyl-3-(4-methylcyclobut-2-en-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(4-methylcyclobut-2-en-1-yl)butan-1-amine
PubChem CID123670727
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-methyl-3-(4-methylcyclobut-2-en-1-yl)butan-1-amine
SMILESCNCCC(C)C1C=CC1C
InChIInChI=1S/C10H19N/c1-8-4-5-10(8)9(2)6-7-11-3/h4-5,8-11H,6-7H2,1-3H3
InChIKeyXPZQCLDBQIXGFN-UHFFFAOYSA-N
XLogP2.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methylcyclobut-2-en-1-yl)butan-1-amine?
The IUPAC name of N-methyl-3-(4-methylcyclobut-2-en-1-yl)butan-1-amine (CID 123670727) is N-methyl-3-(4-methylcyclobut-2-en-1-yl)butan-1-amine.
What is the SMILES notation for N-methyl-3-(4-methylcyclobut-2-en-1-yl)butan-1-amine?
The canonical SMILES for N-methyl-3-(4-methylcyclobut-2-en-1-yl)butan-1-amine is CNCCC(C)C1C=CC1C.
What is the InChIKey of N-methyl-3-(4-methylcyclobut-2-en-1-yl)butan-1-amine?
The InChIKey is XPZQCLDBQIXGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-8-4-5-10(8)9(2)6-7-11-3/h4-5,8-11H,6-7H2,1-3H3.
What are the key properties of N-methyl-3-(4-methylcyclobut-2-en-1-yl)butan-1-amine?
N-methyl-3-(4-methylcyclobut-2-en-1-yl)butan-1-amine has a molecular weight of 153.27 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methylcyclobut-2-en-1-yl)butan-1-amine is sourced from PubChem (CID 123670727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).