(2S)-1-(cyclopenten-1-yl)-3-[(2R)-2-methyloxiran-2-yl]propan-2-amine

C11H19NO — CID 150212700

IUPAC(2S)-1-(cyclopenten-1-yl)-3-[(2R)-2-methyloxiran-2-yl]propan-2-amine
SMILESC[C@@]1(C[C@@H](N)CC2=CCCC2)CO1
InChIInChI=1S/C11H19NO/c1-11(8-13-11)7-10(12)6-9-4-2-3-5-9/h4,10H,2-3,5-8,12H2,1H3/t10-,11+/m0/s1
InChIKeyFRVCTZTYNPZMRU-WDEREUQCSA-N
MW181.28 g/mol
LogP1.99
Rot. Bonds4

About (2S)-1-(cyclopenten-1-yl)-3-[(2R)-2-methyloxiran-2-yl]propan-2-amine

(2S)-1-(cyclopenten-1-yl)-3-[(2R)-2-methyloxiran-2-yl]propan-2-amine (PubChem CID 150212700) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (2S)-1-(cyclopenten-1-yl)-3-[(2R)-2-methyloxiran-2-yl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(cyclopenten-1-yl)-3-[(2R)-2-methyloxiran-2-yl]propan-2-amine
PubChem CID150212700
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(2S)-1-(cyclopenten-1-yl)-3-[(2R)-2-methyloxiran-2-yl]propan-2-amine
SMILESC[C@@]1(C[C@@H](N)CC2=CCCC2)CO1
InChIInChI=1S/C11H19NO/c1-11(8-13-11)7-10(12)6-9-4-2-3-5-9/h4,10H,2-3,5-8,12H2,1H3/t10-,11+/m0/s1
InChIKeyFRVCTZTYNPZMRU-WDEREUQCSA-N
XLogP1.99
TPSA38.55 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cyclopenten-1-yl-(2-methyloxolan-3-yl)methanamine
CID 79757909
Cyclohepten-1-yl-(2-methyloxolan-3-yl)methanamine
CID 79758275
Cyclohexen-1-yl-(2-methyloxolan-3-yl)methanamine
CID 79760222
2-Methoxy-2-methyl-6-methylideneoctan-4-amine
CID 103028504
2-Methoxy-2,7-dimethyloct-7-en-4-amine
CID 103029363
1-(Cyclohexen-1-yl)-5-methoxy-5-methylhexan-2-amine
CID 103036047
3-(3-Methoxy-3-methylbutyl)cyclohex-2-en-1-amine
CID 103037569
3-(3-Methoxy-3-methylbutyl)cyclopent-2-en-1-amine
CID 103037571
1-(Cyclopenten-1-yl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556341
Cycloocten-1-yl-(2-ethyloxolan-3-yl)methanamine
CID 105729744
Cyclohepten-1-yl-(2-ethyloxolan-3-yl)methanamine
CID 105729749
Cyclohexen-1-yl-(2-ethyloxolan-3-yl)methanamine
CID 105729752

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(cyclopenten-1-yl)-3-[(2R)-2-methyloxiran-2-yl]propan-2-amine?
The IUPAC name of (2S)-1-(cyclopenten-1-yl)-3-[(2R)-2-methyloxiran-2-yl]propan-2-amine (CID 150212700) is (2S)-1-(cyclopenten-1-yl)-3-[(2R)-2-methyloxiran-2-yl]propan-2-amine.
What is the SMILES notation for (2S)-1-(cyclopenten-1-yl)-3-[(2R)-2-methyloxiran-2-yl]propan-2-amine?
The canonical SMILES for (2S)-1-(cyclopenten-1-yl)-3-[(2R)-2-methyloxiran-2-yl]propan-2-amine is C[C@@]1(C[C@@H](N)CC2=CCCC2)CO1.
What is the InChIKey of (2S)-1-(cyclopenten-1-yl)-3-[(2R)-2-methyloxiran-2-yl]propan-2-amine?
The InChIKey is FRVCTZTYNPZMRU-WDEREUQCSA-N. The full InChI is InChI=1S/C11H19NO/c1-11(8-13-11)7-10(12)6-9-4-2-3-5-9/h4,10H,2-3,5-8,12H2,1H3/t10-,11+/m0/s1.
What are the key properties of (2S)-1-(cyclopenten-1-yl)-3-[(2R)-2-methyloxiran-2-yl]propan-2-amine?
(2S)-1-(cyclopenten-1-yl)-3-[(2R)-2-methyloxiran-2-yl]propan-2-amine has a molecular weight of 181.28 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(cyclopenten-1-yl)-3-[(2R)-2-methyloxiran-2-yl]propan-2-amine is sourced from PubChem (CID 150212700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).