(1R,5R)-5-(2-methoxypropan-2-yloxy)cyclopent-2-en-1-amine

C9H17NO2 — CID 138701459

IUPAC(1R,5R)-5-(2-methoxypropan-2-yloxy)cyclopent-2-en-1-amine
SMILESCOC(C)(C)O[C@@H]1CC=C[C@H]1N
InChIInChI=1S/C9H17NO2/c1-9(2,11-3)12-8-6-4-5-7(8)10/h4-5,7-8H,6,10H2,1-3H3/t7-,8-/m1/s1
InChIKeyNJXVEFNUTHCGMX-HTQZYQBOSA-N
MW171.24 g/mol
LogP1.04
Rot. Bonds3

About (1R,5R)-5-(2-methoxypropan-2-yloxy)cyclopent-2-en-1-amine

(1R,5R)-5-(2-methoxypropan-2-yloxy)cyclopent-2-en-1-amine (PubChem CID 138701459) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (1R,5R)-5-(2-methoxypropan-2-yloxy)cyclopent-2-en-1-amine.

Molecular Properties

Compound Name(1R,5R)-5-(2-methoxypropan-2-yloxy)cyclopent-2-en-1-amine
PubChem CID138701459
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(1R,5R)-5-(2-methoxypropan-2-yloxy)cyclopent-2-en-1-amine
SMILESCOC(C)(C)O[C@@H]1CC=C[C@H]1N
InChIInChI=1S/C9H17NO2/c1-9(2,11-3)12-8-6-4-5-7(8)10/h4-5,7-8H,6,10H2,1-3H3/t7-,8-/m1/s1
InChIKeyNJXVEFNUTHCGMX-HTQZYQBOSA-N
XLogP1.04
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(Z,1S)-1-[(4S,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enyl]azanide;pentakis(yttrium)
CID 60039109
5-Methoxycyclopent-2-en-1-amine
CID 123826273
2-[(1R,2R,5R)-2-amino-5-methylcyclopent-3-en-1-yl]oxypropan-2-ol
CID 138701451
[(1S)-1-[(4S,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enyl]azanide;pentakis(yttrium)
CID 147197225
6-(Methoxymethoxy)cyclohex-3-en-1-amine
CID 14068482
(1S,6R)-6-(methoxymethoxy)cyclohex-2-en-1-amine
CID 57413194
(Z,1S)-1-[(4S,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-amine
CID 60039110
6-(Methoxymethoxy)cyclohex-2-en-1-amine
CID 76528003
2,2-dimethyl-4-[(2E)-penta-2,4-dienyl]-1,3-dioxan-5-amine
CID 129996014
(1S)-1-[(4S,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-amine
CID 147197226

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-5-(2-methoxypropan-2-yloxy)cyclopent-2-en-1-amine?
The IUPAC name of (1R,5R)-5-(2-methoxypropan-2-yloxy)cyclopent-2-en-1-amine (CID 138701459) is (1R,5R)-5-(2-methoxypropan-2-yloxy)cyclopent-2-en-1-amine.
What is the SMILES notation for (1R,5R)-5-(2-methoxypropan-2-yloxy)cyclopent-2-en-1-amine?
The canonical SMILES for (1R,5R)-5-(2-methoxypropan-2-yloxy)cyclopent-2-en-1-amine is COC(C)(C)O[C@@H]1CC=C[C@H]1N.
What is the InChIKey of (1R,5R)-5-(2-methoxypropan-2-yloxy)cyclopent-2-en-1-amine?
The InChIKey is NJXVEFNUTHCGMX-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H17NO2/c1-9(2,11-3)12-8-6-4-5-7(8)10/h4-5,7-8H,6,10H2,1-3H3/t7-,8-/m1/s1.
What are the key properties of (1R,5R)-5-(2-methoxypropan-2-yloxy)cyclopent-2-en-1-amine?
(1R,5R)-5-(2-methoxypropan-2-yloxy)cyclopent-2-en-1-amine has a molecular weight of 171.24 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-5-(2-methoxypropan-2-yloxy)cyclopent-2-en-1-amine is sourced from PubChem (CID 138701459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).