2-methyl-N-[[2-(2-methylprop-2-enyl)cyclobutyl]methyl]propan-1-amine

C13H25N — CID 81021977

IUPAC2-methyl-N-[[2-(2-methylprop-2-enyl)cyclobutyl]methyl]propan-1-amine
SMILESC=C(C)CC1CCC1CNCC(C)C
InChIInChI=1S/C13H25N/c1-10(2)7-12-5-6-13(12)9-14-8-11(3)4/h11-14H,1,5-9H2,2-4H3
InChIKeyRRZFUWPHYJEVRQ-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.22
Rot. Bonds6

About 2-methyl-N-[[2-(2-methylprop-2-enyl)cyclobutyl]methyl]propan-1-amine

2-methyl-N-[[2-(2-methylprop-2-enyl)cyclobutyl]methyl]propan-1-amine (PubChem CID 81021977) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 2-methyl-N-[[2-(2-methylprop-2-enyl)cyclobutyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(2-methylprop-2-enyl)cyclobutyl]methyl]propan-1-amine
PubChem CID81021977
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name2-methyl-N-[[2-(2-methylprop-2-enyl)cyclobutyl]methyl]propan-1-amine
SMILESC=C(C)CC1CCC1CNCC(C)C
InChIInChI=1S/C13H25N/c1-10(2)7-12-5-6-13(12)9-14-8-11(3)4/h11-14H,1,5-9H2,2-4H3
InChIKeyRRZFUWPHYJEVRQ-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.22
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 2-methyl-N-[[2-(2-methylprop-2-enyl)cyclobutyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-(2-methylprop-2-enyl)cyclobutyl]methyl]propan-1-amine (CID 81021977) is 2-methyl-N-[[2-(2-methylprop-2-enyl)cyclobutyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-(2-methylprop-2-enyl)cyclobutyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-(2-methylprop-2-enyl)cyclobutyl]methyl]propan-1-amine is C=C(C)CC1CCC1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[[2-(2-methylprop-2-enyl)cyclobutyl]methyl]propan-1-amine?
The InChIKey is RRZFUWPHYJEVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-10(2)7-12-5-6-13(12)9-14-8-11(3)4/h11-14H,1,5-9H2,2-4H3.
What are the key properties of 2-methyl-N-[[2-(2-methylprop-2-enyl)cyclobutyl]methyl]propan-1-amine?
2-methyl-N-[[2-(2-methylprop-2-enyl)cyclobutyl]methyl]propan-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(2-methylprop-2-enyl)cyclobutyl]methyl]propan-1-amine is sourced from PubChem (CID 81021977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).