N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylpent-2-en-4-yn-1-amine

C23H21N — CID 91425181

IUPACN-[(1R)-1-naphthalen-1-ylethyl]-5-phenylpent-2-en-4-yn-1-amine
SMILESC[C@@H](NCC=CC#Cc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C23H21N/c1-19(22-17-10-15-21-14-7-8-16-23(21)22)24-18-9-3-6-13-20-11-4-2-5-12-20/h2-5,7-12,14-17,19,24H,18H2,1H3/t19-/m1/s1
InChIKeyOBALFMSYRPCEQH-LJQANCHMSA-N
MW311.43 g/mol
LogP5.10
Rot. Bonds4

About N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylpent-2-en-4-yn-1-amine

N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylpent-2-en-4-yn-1-amine (PubChem CID 91425181) has the molecular formula C23H21N and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylpent-2-en-4-yn-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-naphthalen-1-ylethyl]-5-phenylpent-2-en-4-yn-1-amine
PubChem CID91425181
Molecular FormulaC23H21N
Molecular Weight311.43 g/mol
Exact Mass311.17
IUPAC NameN-[(1R)-1-naphthalen-1-ylethyl]-5-phenylpent-2-en-4-yn-1-amine
SMILESC[C@@H](NCC=CC#Cc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C23H21N/c1-19(22-17-10-15-21-14-7-8-16-23(21)22)24-18-9-3-6-13-20-11-4-2-5-12-20/h2-5,7-12,14-17,19,24H,18H2,1H3/t19-/m1/s1
InChIKeyOBALFMSYRPCEQH-LJQANCHMSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.43
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-(4-bromophenyl)-N-(1-naphthalen-1-ylethyl)pent-2-en-4-yn-1-amine
CID 25006403
(E)-5-(2-fluorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]pent-2-en-4-yn-1-amine
CID 25006024
7-[[(1R)-1-naphthalen-1-ylethyl]amino]hept-5-en-3-yn-1-ol
CID 91065022
(E)-N-[(1R)-1-naphthalen-1-ylethyl]oct-2-en-4-yne-1,8-diamine
CID 89294620
(E)-N-[(1R)-1-naphthalen-1-ylethyl]-6-trimethylsilylhex-2-en-4-yn-1-amine
CID 25005662
(E)-N'-ethylsulfanyl-N-(1-naphthalen-1-ylethyl)hex-2-en-4-yne-1,6-diamine
CID 143626003
(E)-N-[(1R)-1-naphthalen-1-ylethyl]-N',N'-dipropylhex-2-en-4-yne-1,6-diamine
CID 59562927
2-[(E)-7-[[(1R)-1-naphthalen-1-ylethyl]amino]hept-5-en-3-ynyl]isoindole-1,3-dione
CID 59562972
6,6-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]-7-tri(propan-2-yl)silyloxyhept-2-en-4-yn-1-amine
CID 91196178
(1R)-1-naphthalen-1-yl-N-[[3-(2-phenylethynyl)phenyl]methyl]ethanamine
CID 59562831
4-methyl-N-[(E)-8-[[(1R)-1-naphthalen-1-ylethyl]amino]oct-6-en-4-ynyl]benzenesulfonamide
CID 59562872
(E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-en-1-ol
CID 70834153

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylpent-2-en-4-yn-1-amine?
The IUPAC name of N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylpent-2-en-4-yn-1-amine (CID 91425181) is N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylpent-2-en-4-yn-1-amine.
What is the SMILES notation for N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylpent-2-en-4-yn-1-amine?
The canonical SMILES for N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylpent-2-en-4-yn-1-amine is C[C@@H](NCC=CC#Cc1ccccc1)c1cccc2ccccc12.
What is the InChIKey of N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylpent-2-en-4-yn-1-amine?
The InChIKey is OBALFMSYRPCEQH-LJQANCHMSA-N. The full InChI is InChI=1S/C23H21N/c1-19(22-17-10-15-21-14-7-8-16-23(21)22)24-18-9-3-6-13-20-11-4-2-5-12-20/h2-5,7-12,14-17,19,24H,18H2,1H3/t19-/m1/s1.
What are the key properties of N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylpent-2-en-4-yn-1-amine?
N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylpent-2-en-4-yn-1-amine has a molecular weight of 311.43 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylpent-2-en-4-yn-1-amine is sourced from PubChem (CID 91425181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).