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

C17H23N — CID 63080062

IUPACN-ethyl-1-(1-phenylcyclobutyl)pent-3-yn-1-amine
SMILESCC#CCC(NCC)C1(c2ccccc2)CCC1
InChIInChI=1S/C17H23N/c1-3-5-12-16(18-4-2)17(13-9-14-17)15-10-7-6-8-11-15/h6-8,10-11,16,18H,4,9,12-14H2,1-2H3
InChIKeyYQRZTLXXRWHCPY-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.50
Rot. Bonds5

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

N-ethyl-1-(1-phenylcyclobutyl)pent-3-yn-1-amine (PubChem CID 63080062) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is N-ethyl-1-(1-phenylcyclobutyl)pent-3-yn-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-phenylcyclobutyl)pent-3-yn-1-amine
PubChem CID63080062
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC NameN-ethyl-1-(1-phenylcyclobutyl)pent-3-yn-1-amine
SMILESCC#CCC(NCC)C1(c2ccccc2)CCC1
InChIInChI=1S/C17H23N/c1-3-5-12-16(18-4-2)17(13-9-14-17)15-10-7-6-8-11-15/h6-8,10-11,16,18H,4,9,12-14H2,1-2H3
InChIKeyYQRZTLXXRWHCPY-UHFFFAOYSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.50
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-ethyl-1-(1-phenylcyclobutyl)pent-3-yn-1-amine?
The IUPAC name of N-ethyl-1-(1-phenylcyclobutyl)pent-3-yn-1-amine (CID 63080062) is N-ethyl-1-(1-phenylcyclobutyl)pent-3-yn-1-amine.
What is the SMILES notation for N-ethyl-1-(1-phenylcyclobutyl)pent-3-yn-1-amine?
The canonical SMILES for N-ethyl-1-(1-phenylcyclobutyl)pent-3-yn-1-amine is CC#CCC(NCC)C1(c2ccccc2)CCC1.
What is the InChIKey of N-ethyl-1-(1-phenylcyclobutyl)pent-3-yn-1-amine?
The InChIKey is YQRZTLXXRWHCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-3-5-12-16(18-4-2)17(13-9-14-17)15-10-7-6-8-11-15/h6-8,10-11,16,18H,4,9,12-14H2,1-2H3.
What are the key properties of N-ethyl-1-(1-phenylcyclobutyl)pent-3-yn-1-amine?
N-ethyl-1-(1-phenylcyclobutyl)pent-3-yn-1-amine has a molecular weight of 241.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-phenylcyclobutyl)pent-3-yn-1-amine is sourced from PubChem (CID 63080062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).