N-methyl-2-(2-methylcyclobut-2-en-1-yl)propan-1-amine

C9H17N — CID 123896801

IUPACN-methyl-2-(2-methylcyclobut-2-en-1-yl)propan-1-amine
SMILESCNCC(C)C1CC=C1C
InChIInChI=1S/C9H17N/c1-7-4-5-9(7)8(2)6-10-3/h4,8-10H,5-6H2,1-3H3
InChIKeyVKZSOLPQXYFPSA-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.81
Rot. Bonds3

About N-methyl-2-(2-methylcyclobut-2-en-1-yl)propan-1-amine

N-methyl-2-(2-methylcyclobut-2-en-1-yl)propan-1-amine (PubChem CID 123896801) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-methyl-2-(2-methylcyclobut-2-en-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(2-methylcyclobut-2-en-1-yl)propan-1-amine
PubChem CID123896801
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-methyl-2-(2-methylcyclobut-2-en-1-yl)propan-1-amine
SMILESCNCC(C)C1CC=C1C
InChIInChI=1S/C9H17N/c1-7-4-5-9(7)8(2)6-10-3/h4,8-10H,5-6H2,1-3H3
InChIKeyVKZSOLPQXYFPSA-UHFFFAOYSA-N
XLogP1.81
TPSA12.03 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 ≤ 51.81
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-2-(2-methylcyclobut-2-en-1-yl)propan-1-amine?
The IUPAC name of N-methyl-2-(2-methylcyclobut-2-en-1-yl)propan-1-amine (CID 123896801) is N-methyl-2-(2-methylcyclobut-2-en-1-yl)propan-1-amine.
What is the SMILES notation for N-methyl-2-(2-methylcyclobut-2-en-1-yl)propan-1-amine?
The canonical SMILES for N-methyl-2-(2-methylcyclobut-2-en-1-yl)propan-1-amine is CNCC(C)C1CC=C1C.
What is the InChIKey of N-methyl-2-(2-methylcyclobut-2-en-1-yl)propan-1-amine?
The InChIKey is VKZSOLPQXYFPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-7-4-5-9(7)8(2)6-10-3/h4,8-10H,5-6H2,1-3H3.
What are the key properties of N-methyl-2-(2-methylcyclobut-2-en-1-yl)propan-1-amine?
N-methyl-2-(2-methylcyclobut-2-en-1-yl)propan-1-amine has a molecular weight of 139.24 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylcyclobut-2-en-1-yl)propan-1-amine is sourced from PubChem (CID 123896801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).