propan-2-yl N-(2-cyclopropylethyl)carbamate

C9H17NO2 — CID 116656480

IUPACpropan-2-yl N-(2-cyclopropylethyl)carbamate
SMILESCC(C)OC(=O)NCCC1CC1
InChIInChI=1S/C9H17NO2/c1-7(2)12-9(11)10-6-5-8-3-4-8/h7-8H,3-6H2,1-2H3,(H,10,11)
InChIKeyDELANLIDHQBNLG-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.92
Rot. Bonds4

About propan-2-yl N-(2-cyclopropylethyl)carbamate

propan-2-yl N-(2-cyclopropylethyl)carbamate (PubChem CID 116656480) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is propan-2-yl N-(2-cyclopropylethyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(2-cyclopropylethyl)carbamate
PubChem CID116656480
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namepropan-2-yl N-(2-cyclopropylethyl)carbamate
SMILESCC(C)OC(=O)NCCC1CC1
InChIInChI=1S/C9H17NO2/c1-7(2)12-9(11)10-6-5-8-3-4-8/h7-8H,3-6H2,1-2H3,(H,10,11)
InChIKeyDELANLIDHQBNLG-UHFFFAOYSA-N
XLogP1.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 91172551
tert-butyl N-[2-[4-[(1S)-1-aminoethyl]cyclohexyl]ethyl]carbamate
CID 175690167
propan-2-yl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate
CID 59158861
propan-2-yl N-[(3-methylcyclopentyl)methyl]carbamate
CID 107412401
propan-2-yl N-[2-[cyclopropyl(methyl)amino]ethyl]carbamate
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propan-2-yl N-(2-chloroethyl)carbamate
CID 15649892
1-(2-cyclopropylethyl)-3-methoxyurea
CID 131224486
1,3-bis(2-cyclopropylethyl)urea
CID 68635931
4-(2-cyclopropylethylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103498677
propan-2-yl N-[(1-methylpiperidin-4-yl)methyl]carbamate
CID 116655183
N-(2-cyclopentylethyl)-2-methoxypropanamide
CID 115588216
propan-2-yl N-(3-ethoxypropyl)carbamate
CID 116653800

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(2-cyclopropylethyl)carbamate?
The IUPAC name of propan-2-yl N-(2-cyclopropylethyl)carbamate (CID 116656480) is propan-2-yl N-(2-cyclopropylethyl)carbamate.
What is the SMILES notation for propan-2-yl N-(2-cyclopropylethyl)carbamate?
The canonical SMILES for propan-2-yl N-(2-cyclopropylethyl)carbamate is CC(C)OC(=O)NCCC1CC1.
What is the InChIKey of propan-2-yl N-(2-cyclopropylethyl)carbamate?
The InChIKey is DELANLIDHQBNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)12-9(11)10-6-5-8-3-4-8/h7-8H,3-6H2,1-2H3,(H,10,11).
What are the key properties of propan-2-yl N-(2-cyclopropylethyl)carbamate?
propan-2-yl N-(2-cyclopropylethyl)carbamate has a molecular weight of 171.24 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(2-cyclopropylethyl)carbamate is sourced from PubChem (CID 116656480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).