cyclopenten-1-ylmethylcarbamic acid;N,N-diethylethanamine

C13H26N2O2 — CID 170316861

IUPACcyclopenten-1-ylmethylcarbamic acid;N,N-diethylethanamine
SMILESCCN(CC)CC.O=C(O)NCC1=CCCC1
InChIInChI=1S/C7H11NO2.C6H15N/c9-7(10)8-5-6-3-1-2-4-6;1-4-7(5-2)6-3/h3,8H,1-2,4-5H2,(H,9,10);4-6H2,1-3H3
InChIKeyIEWJXNVAECTPCC-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.71
Rot. Bonds5

About cyclopenten-1-ylmethylcarbamic acid;N,N-diethylethanamine

cyclopenten-1-ylmethylcarbamic acid;N,N-diethylethanamine (PubChem CID 170316861) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is cyclopenten-1-ylmethylcarbamic acid;N,N-diethylethanamine.

Molecular Properties

Compound Namecyclopenten-1-ylmethylcarbamic acid;N,N-diethylethanamine
PubChem CID170316861
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Namecyclopenten-1-ylmethylcarbamic acid;N,N-diethylethanamine
SMILESCCN(CC)CC.O=C(O)NCC1=CCCC1
InChIInChI=1S/C7H11NO2.C6H15N/c9-7(10)8-5-6-3-1-2-4-6;1-4-7(5-2)6-3/h3,8H,1-2,4-5H2,(H,9,10);4-6H2,1-3H3
InChIKeyIEWJXNVAECTPCC-UHFFFAOYSA-N
XLogP2.71
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohexen-1-ylmethyl)cyclopentanecarboxamide
CID 100542242
N-(cyclohexen-1-ylmethyl)-2-(3,5-dimethylphenoxy)propanamide
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(3-aminocyclohexa-1,3-dien-1-yl)methylcarbamic acid
CID 89240351
3-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-ethylamino]propanoic acid
CID 61011314
4-[(cyclohexen-1-ylmethylcarbamoylamino)methyl]benzoic acid
CID 122015864
N-(cyclohexen-1-ylmethyl)-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 128685706
N-(cyclohexen-1-ylmethyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 133180031
ethyl 4-(cyclopenten-1-yl)-3-oxobutanoate
CID 154212044
N-(cyclohexen-1-ylmethyl)-N'-(2-methylphenyl)oxamide
CID 43917175
N-(cyclohexen-1-ylmethyl)-4-ethoxy-3-methylbenzamide
CID 100542456
1-[2-(cyclopenten-1-yl)ethylamino]-3-(diethylamino)propan-2-ol
CID 106173796
(2R)-N-(cyclohexen-1-ylmethyl)-2-imidazol-1-ylpropanamide
CID 126449095

Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-ylmethylcarbamic acid;N,N-diethylethanamine?
The IUPAC name of cyclopenten-1-ylmethylcarbamic acid;N,N-diethylethanamine (CID 170316861) is cyclopenten-1-ylmethylcarbamic acid;N,N-diethylethanamine.
What is the SMILES notation for cyclopenten-1-ylmethylcarbamic acid;N,N-diethylethanamine?
The canonical SMILES for cyclopenten-1-ylmethylcarbamic acid;N,N-diethylethanamine is CCN(CC)CC.O=C(O)NCC1=CCCC1.
What is the InChIKey of cyclopenten-1-ylmethylcarbamic acid;N,N-diethylethanamine?
The InChIKey is IEWJXNVAECTPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2.C6H15N/c9-7(10)8-5-6-3-1-2-4-6;1-4-7(5-2)6-3/h3,8H,1-2,4-5H2,(H,9,10);4-6H2,1-3H3.
What are the key properties of cyclopenten-1-ylmethylcarbamic acid;N,N-diethylethanamine?
cyclopenten-1-ylmethylcarbamic acid;N,N-diethylethanamine has a molecular weight of 242.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-ylmethylcarbamic acid;N,N-diethylethanamine is sourced from PubChem (CID 170316861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).