N-[2-(cyclohex-3-en-1-ylmethylamino)ethyl]cyclopropanecarboxamide

C13H22N2O — CID 115572796

IUPACN-[2-(cyclohex-3-en-1-ylmethylamino)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNCC1CC=CCC1)C1CC1
InChIInChI=1S/C13H22N2O/c16-13(12-6-7-12)15-9-8-14-10-11-4-2-1-3-5-11/h1-2,11-12,14H,3-10H2,(H,15,16)
InChIKeySZCQZVSKZUHHBX-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.46
Rot. Bonds6

About N-[2-(cyclohex-3-en-1-ylmethylamino)ethyl]cyclopropanecarboxamide

N-[2-(cyclohex-3-en-1-ylmethylamino)ethyl]cyclopropanecarboxamide (PubChem CID 115572796) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[2-(cyclohex-3-en-1-ylmethylamino)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(cyclohex-3-en-1-ylmethylamino)ethyl]cyclopropanecarboxamide
PubChem CID115572796
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[2-(cyclohex-3-en-1-ylmethylamino)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNCC1CC=CCC1)C1CC1
InChIInChI=1S/C13H22N2O/c16-13(12-6-7-12)15-9-8-14-10-11-4-2-1-3-5-11/h1-2,11-12,14H,3-10H2,(H,15,16)
InChIKeySZCQZVSKZUHHBX-UHFFFAOYSA-N
XLogP1.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N-(cyclohex-3-en-1-ylmethyl)-3,3-difluorocyclobutane-1-carboxamide
CID 126790248
2-(cyclohex-3-en-1-ylmethylamino)ethyl carbamate
CID 83211813
(3R)-N-(cyclohex-3-en-1-ylmethyl)piperidine-3-carboxamide
CID 81140775
1-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-(2-methoxyethyl)piperidin-1-ium-4-carboxamide
CID 2187003
6-(cyclohex-3-en-1-ylmethylamino)hexan-1-ol
CID 115908967
N-[2-[(4-tert-butylcyclohexyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115647673
(1R)-N-[2-(2-methylpropanoylamino)ethyl]cyclohex-3-ene-1-carboxamide
CID 25474228
1-(cyclohex-3-en-1-ylmethyl)-3-propylurea
CID 89090826
4-(cyclohex-3-en-1-ylmethylamino)-N-cyclopropylbutanamide
CID 79394924
N-(cyclohex-3-en-1-ylmethyl)-2,2,2-trifluoroacetamide
CID 54046672
N-(cyclohex-3-en-1-ylmethyl)-2,2-difluoroacetamide
CID 103515679
3-(cyclohex-3-ene-1-carbonylamino)propanoic acid
CID 24699989

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohex-3-en-1-ylmethylamino)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(cyclohex-3-en-1-ylmethylamino)ethyl]cyclopropanecarboxamide (CID 115572796) is N-[2-(cyclohex-3-en-1-ylmethylamino)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(cyclohex-3-en-1-ylmethylamino)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(cyclohex-3-en-1-ylmethylamino)ethyl]cyclopropanecarboxamide is O=C(NCCNCC1CC=CCC1)C1CC1.
What is the InChIKey of N-[2-(cyclohex-3-en-1-ylmethylamino)ethyl]cyclopropanecarboxamide?
The InChIKey is SZCQZVSKZUHHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c16-13(12-6-7-12)15-9-8-14-10-11-4-2-1-3-5-11/h1-2,11-12,14H,3-10H2,(H,15,16).
What are the key properties of N-[2-(cyclohex-3-en-1-ylmethylamino)ethyl]cyclopropanecarboxamide?
N-[2-(cyclohex-3-en-1-ylmethylamino)ethyl]cyclopropanecarboxamide has a molecular weight of 222.33 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohex-3-en-1-ylmethylamino)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115572796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).