[1-(3-aminocyclopentyl)-2-methylpropan-2-yl] carbamate;hydrochloride

C10H21ClN2O2 — CID 174615976

IUPAC[1-(3-aminocyclopentyl)-2-methylpropan-2-yl] carbamate;hydrochloride
SMILESCC(C)(CC1CCC(N)C1)OC(N)=O.Cl
InChIInChI=1S/C10H20N2O2.ClH/c1-10(2,14-9(12)13)6-7-3-4-8(11)5-7;/h7-8H,3-6,11H2,1-2H3,(H2,12,13);1H
InChIKeyMMBYUVYDRCZVCG-UHFFFAOYSA-N
MW236.74 g/mol
LogP1.80
Rot. Bonds3

About [1-(3-aminocyclopentyl)-2-methylpropan-2-yl] carbamate;hydrochloride

[1-(3-aminocyclopentyl)-2-methylpropan-2-yl] carbamate;hydrochloride (PubChem CID 174615976) has the molecular formula C10H21ClN2O2 and a molecular weight of 236.74 g/mol. Its IUPAC name is [1-(3-aminocyclopentyl)-2-methylpropan-2-yl] carbamate;hydrochloride.

Molecular Properties

Compound Name[1-(3-aminocyclopentyl)-2-methylpropan-2-yl] carbamate;hydrochloride
PubChem CID174615976
Molecular FormulaC10H21ClN2O2
Molecular Weight236.74 g/mol
Exact Mass236.13
IUPAC Name[1-(3-aminocyclopentyl)-2-methylpropan-2-yl] carbamate;hydrochloride
SMILESCC(C)(CC1CCC(N)C1)OC(N)=O.Cl
InChIInChI=1S/C10H20N2O2.ClH/c1-10(2,14-9(12)13)6-7-3-4-8(11)5-7;/h7-8H,3-6,11H2,1-2H3,(H2,12,13);1H
InChIKeyMMBYUVYDRCZVCG-UHFFFAOYSA-N
XLogP1.80
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-ethoxycyclopentyl)-2-methylpropan-2-yl] carbamate
CID 142924239
(2-methyl-1-piperidin-4-ylpropan-2-yl) carbamate;hydrochloride
CID 174531197
(1-cyclopropyl-2-methylpropan-2-yl) acetate
CID 174859828
[1-[(3R)-1-acetylpiperidin-3-yl]-2-methylpropan-2-yl] carbamate
CID 175269428
(1-cyclopropyl-2-methylpropan-2-yl) 2,2,2-trifluoroacetate
CID 149076499
[1-[1-[(2Z)-2-methoxyiminopropanoyl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate
CID 175818033
tert-butyl N-[(1S,2S)-2-(2-carbamoyloxy-2-methylpropyl)cyclopropyl]carbamate
CID 174616207
2-[(1R,3R)-3-aminocyclopentyl]acetic acid;hydrochloride
CID 170154863
4-aminocyclohexane-1-carboxylic acid;tert-butyl carbamate
CID 142197822
tert-butyl carbamate;4-ethylcyclohexan-1-ol
CID 144752449
tert-butyl (3R)-3-aminocyclopentane-1-carboxylate
CID 121277242
tert-butyl carbamate;(4-propylcyclohexyl)methanol
CID 174436433

Frequently Asked Questions

What is the IUPAC name of [1-(3-aminocyclopentyl)-2-methylpropan-2-yl] carbamate;hydrochloride?
The IUPAC name of [1-(3-aminocyclopentyl)-2-methylpropan-2-yl] carbamate;hydrochloride (CID 174615976) is [1-(3-aminocyclopentyl)-2-methylpropan-2-yl] carbamate;hydrochloride.
What is the SMILES notation for [1-(3-aminocyclopentyl)-2-methylpropan-2-yl] carbamate;hydrochloride?
The canonical SMILES for [1-(3-aminocyclopentyl)-2-methylpropan-2-yl] carbamate;hydrochloride is CC(C)(CC1CCC(N)C1)OC(N)=O.Cl.
What is the InChIKey of [1-(3-aminocyclopentyl)-2-methylpropan-2-yl] carbamate;hydrochloride?
The InChIKey is MMBYUVYDRCZVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.ClH/c1-10(2,14-9(12)13)6-7-3-4-8(11)5-7;/h7-8H,3-6,11H2,1-2H3,(H2,12,13);1H.
What are the key properties of [1-(3-aminocyclopentyl)-2-methylpropan-2-yl] carbamate;hydrochloride?
[1-(3-aminocyclopentyl)-2-methylpropan-2-yl] carbamate;hydrochloride has a molecular weight of 236.74 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-aminocyclopentyl)-2-methylpropan-2-yl] carbamate;hydrochloride is sourced from PubChem (CID 174615976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).