2-(cyclohex-3-en-1-ylmethylamino)ethyl carbamate

C10H18N2O2 — CID 83211813

IUPAC2-(cyclohex-3-en-1-ylmethylamino)ethyl carbamate
SMILESNC(=O)OCCNCC1CC=CCC1
InChIInChI=1S/C10H18N2O2/c11-10(13)14-7-6-12-8-9-4-2-1-3-5-9/h1-2,9,12H,3-8H2,(H2,11,13)
InChIKeyHLAOCTRKHPVPON-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.03
Rot. Bonds5

About 2-(cyclohex-3-en-1-ylmethylamino)ethyl carbamate

2-(cyclohex-3-en-1-ylmethylamino)ethyl carbamate (PubChem CID 83211813) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-(cyclohex-3-en-1-ylmethylamino)ethyl carbamate.

Molecular Properties

Compound Name2-(cyclohex-3-en-1-ylmethylamino)ethyl carbamate
PubChem CID83211813
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-(cyclohex-3-en-1-ylmethylamino)ethyl carbamate
SMILESNC(=O)OCCNCC1CC=CCC1
InChIInChI=1S/C10H18N2O2/c11-10(13)14-7-6-12-8-9-4-2-1-3-5-9/h1-2,9,12H,3-8H2,(H2,11,13)
InChIKeyHLAOCTRKHPVPON-UHFFFAOYSA-N
XLogP1.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxypropanimidamide
CID 77030678
N-[2-(cyclohex-3-en-1-ylmethylamino)ethyl]cyclopropanecarboxamide
CID 115572796
N-(cyclohex-3-en-1-ylmethyl)-2-phenoxyethanamine
CID 55021286
N-(cyclohex-3-en-1-ylmethyl)-2-(2-methoxyphenoxy)ethanamine
CID 60663419
N-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylmethanamine
CID 43215811
N-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyloxypropan-1-amine
CID 43081150
6-(cyclohex-3-en-1-ylmethylamino)hexan-1-ol
CID 115908967
4-(cyclohex-3-en-1-ylmethylamino)-N-cyclopropylbutanamide
CID 79394924
methyl 2-cyclohex-3-en-1-ylacetate
CID 12739784
2-(piperidin-3-ylmethylamino)ethyl carbamate
CID 83211184
4-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062652
N-(cyclohex-3-en-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
CID 43180683

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohex-3-en-1-ylmethylamino)ethyl carbamate?
The IUPAC name of 2-(cyclohex-3-en-1-ylmethylamino)ethyl carbamate (CID 83211813) is 2-(cyclohex-3-en-1-ylmethylamino)ethyl carbamate.
What is the SMILES notation for 2-(cyclohex-3-en-1-ylmethylamino)ethyl carbamate?
The canonical SMILES for 2-(cyclohex-3-en-1-ylmethylamino)ethyl carbamate is NC(=O)OCCNCC1CC=CCC1.
What is the InChIKey of 2-(cyclohex-3-en-1-ylmethylamino)ethyl carbamate?
The InChIKey is HLAOCTRKHPVPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c11-10(13)14-7-6-12-8-9-4-2-1-3-5-9/h1-2,9,12H,3-8H2,(H2,11,13).
What are the key properties of 2-(cyclohex-3-en-1-ylmethylamino)ethyl carbamate?
2-(cyclohex-3-en-1-ylmethylamino)ethyl carbamate has a molecular weight of 198.27 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-3-en-1-ylmethylamino)ethyl carbamate is sourced from PubChem (CID 83211813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).