cis-(1R,3R)-3-(hydroperoxymethyl)-1,2,2,3-tetramethylcyclopentan-1-amine

C10H21NO2 — CID 130315419

IUPACcis-(1R,3R)-3-(hydroperoxymethyl)-1,2,2,3-tetramethylcyclopentan-1-amine
SMILESCC1(C)[C@](C)(COO)CC[C@@]1(C)N
InChIInChI=1S/C10H21NO2/c1-8(2)9(3,7-13-12)5-6-10(8,4)11/h12H,5-7,11H2,1-4H3/t9-,10+/m0/s1
InChIKeyNICRXOBNXXUZQL-VHSXEESVSA-N
MW187.28 g/mol
LogP2.02
Rot. Bonds2

About cis-(1R,3R)-3-(hydroperoxymethyl)-1,2,2,3-tetramethylcyclopentan-1-amine

cis-(1R,3R)-3-(hydroperoxymethyl)-1,2,2,3-tetramethylcyclopentan-1-amine (PubChem CID 130315419) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is cis-(1R,3R)-3-(hydroperoxymethyl)-1,2,2,3-tetramethylcyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,3R)-3-(hydroperoxymethyl)-1,2,2,3-tetramethylcyclopentan-1-amine
PubChem CID130315419
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namecis-(1R,3R)-3-(hydroperoxymethyl)-1,2,2,3-tetramethylcyclopentan-1-amine
SMILESCC1(C)[C@](C)(COO)CC[C@@]1(C)N
InChIInChI=1S/C10H21NO2/c1-8(2)9(3,7-13-12)5-6-10(8,4)11/h12H,5-7,11H2,1-4H3/t9-,10+/m0/s1
InChIKeyNICRXOBNXXUZQL-VHSXEESVSA-N
XLogP2.02
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

1-(hydroperoxymethyl)-1-methylcyclobutane
CID 59956938
cis-(1R,3R)-3-amino-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid
CID 99989227
3-amino-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid
CID 102568279
O-[[1-(aminooxymethyl)cyclopropyl]methyl]hydroxylamine;ethane
CID 143696850
(1-aminocyclopropyl)methyl acetate
CID 150213578
1,4-dihydroperoxy-1,4-dimethylcyclohexane
CID 141414121
1,2-dimethylcyclopropane-1,2-diamine;dihydrobromide
CID 90120336
(2-methyloxiran-2-yl)methyl acetate
CID 10103200
1-(4-ethoxycyclohexyl)cyclohexan-1-amine
CID 66769157
ethyl 2-(4,4-dimethylcyclohexyl)acetate
CID 23001036
ethyl (2S)-2-[[(1S,3R)-1-hydroxy-3-(methoxymethyl)-2,2,3-trimethylcyclopentanecarbonyl]amino]-3-phenylpropanoate
CID 23239797
2,2,5,5-tetramethyl-1-(2,2,5,5-tetramethylpyrrolidin-1-yl)oxypyrrolidine
CID 141233322

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-3-(hydroperoxymethyl)-1,2,2,3-tetramethylcyclopentan-1-amine?
The IUPAC name of cis-(1R,3R)-3-(hydroperoxymethyl)-1,2,2,3-tetramethylcyclopentan-1-amine (CID 130315419) is cis-(1R,3R)-3-(hydroperoxymethyl)-1,2,2,3-tetramethylcyclopentan-1-amine.
What is the SMILES notation for cis-(1R,3R)-3-(hydroperoxymethyl)-1,2,2,3-tetramethylcyclopentan-1-amine?
The canonical SMILES for cis-(1R,3R)-3-(hydroperoxymethyl)-1,2,2,3-tetramethylcyclopentan-1-amine is CC1(C)[C@](C)(COO)CC[C@@]1(C)N.
What is the InChIKey of cis-(1R,3R)-3-(hydroperoxymethyl)-1,2,2,3-tetramethylcyclopentan-1-amine?
The InChIKey is NICRXOBNXXUZQL-VHSXEESVSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(2)9(3,7-13-12)5-6-10(8,4)11/h12H,5-7,11H2,1-4H3/t9-,10+/m0/s1.
What are the key properties of cis-(1R,3R)-3-(hydroperoxymethyl)-1,2,2,3-tetramethylcyclopentan-1-amine?
cis-(1R,3R)-3-(hydroperoxymethyl)-1,2,2,3-tetramethylcyclopentan-1-amine has a molecular weight of 187.28 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-3-(hydroperoxymethyl)-1,2,2,3-tetramethylcyclopentan-1-amine is sourced from PubChem (CID 130315419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).