(2-butylcyclopenten-1-yl)methyl N,N-di(propan-2-yl)carbamate

C17H31NO2 — CID 16689220

IUPAC(2-butylcyclopenten-1-yl)methyl N,N-di(propan-2-yl)carbamate
SMILESCCCCC1=C(COC(=O)N(C(C)C)C(C)C)CCC1
InChIInChI=1S/C17H31NO2/c1-6-7-9-15-10-8-11-16(15)12-20-17(19)18(13(2)3)14(4)5/h13-14H,6-12H2,1-5H3
InChIKeyHVRWBRMWIMAGPY-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.91
Rot. Bonds7

About (2-butylcyclopenten-1-yl)methyl N,N-di(propan-2-yl)carbamate

(2-butylcyclopenten-1-yl)methyl N,N-di(propan-2-yl)carbamate (PubChem CID 16689220) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is (2-butylcyclopenten-1-yl)methyl N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name(2-butylcyclopenten-1-yl)methyl N,N-di(propan-2-yl)carbamate
PubChem CID16689220
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name(2-butylcyclopenten-1-yl)methyl N,N-di(propan-2-yl)carbamate
SMILESCCCCC1=C(COC(=O)N(C(C)C)C(C)C)CCC1
InChIInChI=1S/C17H31NO2/c1-6-7-9-15-10-8-11-16(15)12-20-17(19)18(13(2)3)14(4)5/h13-14H,6-12H2,1-5H3
InChIKeyHVRWBRMWIMAGPY-UHFFFAOYSA-N
XLogP4.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-butyl-2-ethylcyclopentene
CID 154086983
ethyl 2-[ethoxycarbonyl(propan-2-yl)amino]propanoate
CID 175194791
1,2-dihexylcyclohexene
CID 19795043
(1-hydroxycyclohexyl)methyl N,N-di(propan-2-yl)carbamate
CID 10923190
butyl 2-[2-(2-butoxy-2-oxoethyl)cyclohexen-1-yl]acetate
CID 19980675
[(1E)-2-pentylcyclotetradecen-1-yl]methanol
CID 13438654
1-butyl-2-methylcyclohexene;ethane
CID 145390002
butyl N,N-dicyclohexylcarbamate
CID 13416417
[(1Z)-2-(2-methylprop-2-enoyloxymethyl)cyclodecen-1-yl]methyl 2-methylprop-2-enoate
CID 118047267
lithium cyclohexen-1-ylmethyl N,N-di(propan-2-yl)carbamate
CID 177495934
[(2S)-2-[di(propan-2-yl)carbamoyloxy]-2-phenylethyl] N,N-di(propan-2-yl)carbamate
CID 102588636
[2-[di(propan-2-yl)carbamoyloxy]cyclohexyl] N,N-di(propan-2-yl)carbamate
CID 118272308

Frequently Asked Questions

What is the IUPAC name of (2-butylcyclopenten-1-yl)methyl N,N-di(propan-2-yl)carbamate?
The IUPAC name of (2-butylcyclopenten-1-yl)methyl N,N-di(propan-2-yl)carbamate (CID 16689220) is (2-butylcyclopenten-1-yl)methyl N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for (2-butylcyclopenten-1-yl)methyl N,N-di(propan-2-yl)carbamate?
The canonical SMILES for (2-butylcyclopenten-1-yl)methyl N,N-di(propan-2-yl)carbamate is CCCCC1=C(COC(=O)N(C(C)C)C(C)C)CCC1.
What is the InChIKey of (2-butylcyclopenten-1-yl)methyl N,N-di(propan-2-yl)carbamate?
The InChIKey is HVRWBRMWIMAGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-6-7-9-15-10-8-11-16(15)12-20-17(19)18(13(2)3)14(4)5/h13-14H,6-12H2,1-5H3.
What are the key properties of (2-butylcyclopenten-1-yl)methyl N,N-di(propan-2-yl)carbamate?
(2-butylcyclopenten-1-yl)methyl N,N-di(propan-2-yl)carbamate has a molecular weight of 281.44 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butylcyclopenten-1-yl)methyl N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 16689220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).