methyl 2,4,4-trimethyl-1-(prop-2-enylamino)cyclopentane-1-carboxylate

C13H23NO2 — CID 106663394

IUPACmethyl 2,4,4-trimethyl-1-(prop-2-enylamino)cyclopentane-1-carboxylate
SMILESC=CCNC1(C(=O)OC)CC(C)(C)CC1C
InChIInChI=1S/C13H23NO2/c1-6-7-14-13(11(15)16-5)9-12(3,4)8-10(13)2/h6,10,14H,1,7-9H2,2-5H3
InChIKeyFGKLDPBFYMELAZ-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.13
Rot. Bonds4

About methyl 2,4,4-trimethyl-1-(prop-2-enylamino)cyclopentane-1-carboxylate

methyl 2,4,4-trimethyl-1-(prop-2-enylamino)cyclopentane-1-carboxylate (PubChem CID 106663394) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is methyl 2,4,4-trimethyl-1-(prop-2-enylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2,4,4-trimethyl-1-(prop-2-enylamino)cyclopentane-1-carboxylate
PubChem CID106663394
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Namemethyl 2,4,4-trimethyl-1-(prop-2-enylamino)cyclopentane-1-carboxylate
SMILESC=CCNC1(C(=O)OC)CC(C)(C)CC1C
InChIInChI=1S/C13H23NO2/c1-6-7-14-13(11(15)16-5)9-12(3,4)8-10(13)2/h6,10,14H,1,7-9H2,2-5H3
InChIKeyFGKLDPBFYMELAZ-UHFFFAOYSA-N
XLogP2.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.13
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

methyl 1-[2-(dimethylamino)ethylamino]-2,4,4-trimethylcyclopentane-1-carboxylate
CID 106663369
methyl 2-methyl-1-(prop-2-enylamino)cyclohexane-1-carboxylate
CID 62353103
1-(2-methoxyethylamino)-2,4,4-trimethylcyclopentane-1-carboxylic acid
CID 106663401
methyl 2,4,4-trimethyl-1-(methylamino)cyclohexane-1-carboxylate
CID 81320916
2,4,4-trimethyl-1-(prop-2-enylamino)cyclopentane-1-carbonitrile
CID 106661469
2,4,4-trimethyl-1-(prop-2-ynylamino)cyclopentane-1-carboxylic acid
CID 106663396
methyl 1-(ethylamino)-3,3,5-trimethylcyclohexane-1-carboxylate
CID 60787698
methane;methyl 2-ethenyl-1-(methoxyamino)cyclopropane-1-carboxylate
CID 143405073
methyl 2-ethenyl-1-(methoxycarbonylamino)cyclopropane-1-carboxylate
CID 73231611
dimethyl 2-ethenylcyclopropane-1,1-dicarboxylate
CID 10464992
methyl 7-prop-2-enylbicyclo[2.2.1]heptane-7-carboxylate
CID 45098783
ethyl 2,4,4-trimethyl-1-(2-methylanilino)cyclopentane-1-carboxylate
CID 106663327

Frequently Asked Questions

What is the IUPAC name of methyl 2,4,4-trimethyl-1-(prop-2-enylamino)cyclopentane-1-carboxylate?
The IUPAC name of methyl 2,4,4-trimethyl-1-(prop-2-enylamino)cyclopentane-1-carboxylate (CID 106663394) is methyl 2,4,4-trimethyl-1-(prop-2-enylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2,4,4-trimethyl-1-(prop-2-enylamino)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2,4,4-trimethyl-1-(prop-2-enylamino)cyclopentane-1-carboxylate is C=CCNC1(C(=O)OC)CC(C)(C)CC1C.
What is the InChIKey of methyl 2,4,4-trimethyl-1-(prop-2-enylamino)cyclopentane-1-carboxylate?
The InChIKey is FGKLDPBFYMELAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-6-7-14-13(11(15)16-5)9-12(3,4)8-10(13)2/h6,10,14H,1,7-9H2,2-5H3.
What are the key properties of methyl 2,4,4-trimethyl-1-(prop-2-enylamino)cyclopentane-1-carboxylate?
methyl 2,4,4-trimethyl-1-(prop-2-enylamino)cyclopentane-1-carboxylate has a molecular weight of 225.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4,4-trimethyl-1-(prop-2-enylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 106663394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).