N-methyl-1-(1-phenylcyclobutyl)pent-3-yn-1-amine

C16H21N — CID 63080243

IUPACN-methyl-1-(1-phenylcyclobutyl)pent-3-yn-1-amine
SMILESCC#CCC(NC)C1(c2ccccc2)CCC1
InChIInChI=1S/C16H21N/c1-3-4-11-15(17-2)16(12-8-13-16)14-9-6-5-7-10-14/h5-7,9-10,15,17H,8,11-13H2,1-2H3
InChIKeyZOUJEHAXLPNMEA-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.11
Rot. Bonds4

About N-methyl-1-(1-phenylcyclobutyl)pent-3-yn-1-amine

N-methyl-1-(1-phenylcyclobutyl)pent-3-yn-1-amine (PubChem CID 63080243) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is N-methyl-1-(1-phenylcyclobutyl)pent-3-yn-1-amine.

Molecular Properties

Compound NameN-methyl-1-(1-phenylcyclobutyl)pent-3-yn-1-amine
PubChem CID63080243
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC NameN-methyl-1-(1-phenylcyclobutyl)pent-3-yn-1-amine
SMILESCC#CCC(NC)C1(c2ccccc2)CCC1
InChIInChI=1S/C16H21N/c1-3-4-11-15(17-2)16(12-8-13-16)14-9-6-5-7-10-14/h5-7,9-10,15,17H,8,11-13H2,1-2H3
InChIKeyZOUJEHAXLPNMEA-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-phenylcyclobutyl)pent-3-yn-1-amine?
The IUPAC name of N-methyl-1-(1-phenylcyclobutyl)pent-3-yn-1-amine (CID 63080243) is N-methyl-1-(1-phenylcyclobutyl)pent-3-yn-1-amine.
What is the SMILES notation for N-methyl-1-(1-phenylcyclobutyl)pent-3-yn-1-amine?
The canonical SMILES for N-methyl-1-(1-phenylcyclobutyl)pent-3-yn-1-amine is CC#CCC(NC)C1(c2ccccc2)CCC1.
What is the InChIKey of N-methyl-1-(1-phenylcyclobutyl)pent-3-yn-1-amine?
The InChIKey is ZOUJEHAXLPNMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-3-4-11-15(17-2)16(12-8-13-16)14-9-6-5-7-10-14/h5-7,9-10,15,17H,8,11-13H2,1-2H3.
What are the key properties of N-methyl-1-(1-phenylcyclobutyl)pent-3-yn-1-amine?
N-methyl-1-(1-phenylcyclobutyl)pent-3-yn-1-amine has a molecular weight of 227.35 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-phenylcyclobutyl)pent-3-yn-1-amine is sourced from PubChem (CID 63080243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).