(1S,4S)-4-(4-methylimidazol-1-yl)-N-[(1R)-1-naphthalen-1-ylethyl]cyclopent-2-en-1-amine

C21H23N3 — CID 141396230

IUPAC(1S,4S)-4-(4-methylimidazol-1-yl)-N-[(1R)-1-naphthalen-1-ylethyl]cyclopent-2-en-1-amine
SMILESCc1cn([C@@H]2C=C[C@@H](N[C@H](C)c3cccc4ccccc34)C2)cn1
InChIInChI=1S/C21H23N3/c1-15-13-24(14-22-15)19-11-10-18(12-19)23-16(2)20-9-5-7-17-6-3-4-8-21(17)20/h3-11,13-14,16,18-19,23H,12H2,1-2H3/t16-,18-,19-/m1/s1
InChIKeyPFZVDLVDDLQFBX-BHIYHBOVSA-N
MW317.44 g/mol
LogP4.57
Rot. Bonds4

About (1S,4S)-4-(4-methylimidazol-1-yl)-N-[(1R)-1-naphthalen-1-ylethyl]cyclopent-2-en-1-amine

(1S,4S)-4-(4-methylimidazol-1-yl)-N-[(1R)-1-naphthalen-1-ylethyl]cyclopent-2-en-1-amine (PubChem CID 141396230) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is (1S,4S)-4-(4-methylimidazol-1-yl)-N-[(1R)-1-naphthalen-1-ylethyl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name(1S,4S)-4-(4-methylimidazol-1-yl)-N-[(1R)-1-naphthalen-1-ylethyl]cyclopent-2-en-1-amine
PubChem CID141396230
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC Name(1S,4S)-4-(4-methylimidazol-1-yl)-N-[(1R)-1-naphthalen-1-ylethyl]cyclopent-2-en-1-amine
SMILESCc1cn([C@@H]2C=C[C@@H](N[C@H](C)c3cccc4ccccc34)C2)cn1
InChIInChI=1S/C21H23N3/c1-15-13-24(14-22-15)19-11-10-18(12-19)23-16(2)20-9-5-7-17-6-3-4-8-21(17)20/h3-11,13-14,16,18-19,23H,12H2,1-2H3/t16-,18-,19-/m1/s1
InChIKeyPFZVDLVDDLQFBX-BHIYHBOVSA-N
XLogP4.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-naphthalen-1-ylethyl]azetidin-3-amine
CID 58973497
N-(1-naphthalen-1-ylethyl)cyclopropanamine
CID 16775384
(3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;dihydrochloride
CID 67407230
molecular hydrogen;N-[(1R)-1-naphthalen-1-ylethyl]cyclohexanamine
CID 143807841
(3S,5R)-5-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidin-3-amine
CID 156776321
N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylcyclobutan-1-amine
CID 158787446
(3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(1-naphthalen-1-ylethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine;hydrochloride
CID 162334300
N-(1-naphthalen-1-ylethyl)-1-pyrimidin-2-ylpyrrolidin-3-amine
CID 67408270
5-methyl-3-[(1R,3R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]imidazole-4-carboxylic acid
CID 42623186
3-(4-iodophenyl)-N-(1-naphthalen-1-ylethyl)cyclohexan-1-amine
CID 68779176
N-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethanamine
CID 115676380
N-(1-naphthalen-1-ylethyl)-1,1-dioxothian-4-amine
CID 43511636

Frequently Asked Questions

What is the IUPAC name of (1S,4S)-4-(4-methylimidazol-1-yl)-N-[(1R)-1-naphthalen-1-ylethyl]cyclopent-2-en-1-amine?
The IUPAC name of (1S,4S)-4-(4-methylimidazol-1-yl)-N-[(1R)-1-naphthalen-1-ylethyl]cyclopent-2-en-1-amine (CID 141396230) is (1S,4S)-4-(4-methylimidazol-1-yl)-N-[(1R)-1-naphthalen-1-ylethyl]cyclopent-2-en-1-amine.
What is the SMILES notation for (1S,4S)-4-(4-methylimidazol-1-yl)-N-[(1R)-1-naphthalen-1-ylethyl]cyclopent-2-en-1-amine?
The canonical SMILES for (1S,4S)-4-(4-methylimidazol-1-yl)-N-[(1R)-1-naphthalen-1-ylethyl]cyclopent-2-en-1-amine is Cc1cn([C@@H]2C=C[C@@H](N[C@H](C)c3cccc4ccccc34)C2)cn1.
What is the InChIKey of (1S,4S)-4-(4-methylimidazol-1-yl)-N-[(1R)-1-naphthalen-1-ylethyl]cyclopent-2-en-1-amine?
The InChIKey is PFZVDLVDDLQFBX-BHIYHBOVSA-N. The full InChI is InChI=1S/C21H23N3/c1-15-13-24(14-22-15)19-11-10-18(12-19)23-16(2)20-9-5-7-17-6-3-4-8-21(17)20/h3-11,13-14,16,18-19,23H,12H2,1-2H3/t16-,18-,19-/m1/s1.
What are the key properties of (1S,4S)-4-(4-methylimidazol-1-yl)-N-[(1R)-1-naphthalen-1-ylethyl]cyclopent-2-en-1-amine?
(1S,4S)-4-(4-methylimidazol-1-yl)-N-[(1R)-1-naphthalen-1-ylethyl]cyclopent-2-en-1-amine has a molecular weight of 317.44 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-4-(4-methylimidazol-1-yl)-N-[(1R)-1-naphthalen-1-ylethyl]cyclopent-2-en-1-amine is sourced from PubChem (CID 141396230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).