1-(aminomethyl)-N-ethoxycyclopropane-1-carboxamide

C7H14N2O2 — CID 115453415

IUPAC1-(aminomethyl)-N-ethoxycyclopropane-1-carboxamide
SMILESCCONC(=O)C1(CN)CC1
InChIInChI=1S/C7H14N2O2/c1-2-11-9-6(10)7(5-8)3-4-7/h2-5,8H2,1H3,(H,9,10)
InChIKeyKGKSTPYRUWPNRA-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.21
Rot. Bonds4

About 1-(aminomethyl)-N-ethoxycyclopropane-1-carboxamide

1-(aminomethyl)-N-ethoxycyclopropane-1-carboxamide (PubChem CID 115453415) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethoxycyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethoxycyclopropane-1-carboxamide
PubChem CID115453415
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name1-(aminomethyl)-N-ethoxycyclopropane-1-carboxamide
SMILESCCONC(=O)C1(CN)CC1
InChIInChI=1S/C7H14N2O2/c1-2-11-9-6(10)7(5-8)3-4-7/h2-5,8H2,1H3,(H,9,10)
InChIKeyKGKSTPYRUWPNRA-UHFFFAOYSA-N
XLogP-0.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(aminomethyl)-N-phenylmethoxycyclopropane-1-carboxamide
CID 115453414
1-(aminomethyl)-N-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxamide
CID 82724462
1-(aminomethyl)-N-[2-(ethylamino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 80587776
1-(aminomethyl)-N-(6-methylheptan-2-yl)cyclopropane-1-carboxamide
CID 80588231
1-(aminomethyl)-N-(2-methoxy-2-methylpropyl)cyclopropane-1-carboxamide
CID 104759874
1-(aminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)cyclopropane-1-carboxamide
CID 80597965
1-(aminomethyl)-N-[2-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 80587365
2-[1-(aminomethyl)cyclohexyl]-N-ethoxyacetamide
CID 104678316
1-(aminomethyl)-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide
CID 80587591
N-(1-acetylpiperidin-4-yl)-1-(aminomethyl)cyclopropane-1-carboxamide
CID 115452571
1-(aminomethyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 80587530
1-(aminomethyl)-N-(3-amino-3-oxopropyl)cyclopropane-1-carboxamide
CID 80588317

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethoxycyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-ethoxycyclopropane-1-carboxamide (CID 115453415) is 1-(aminomethyl)-N-ethoxycyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-ethoxycyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-ethoxycyclopropane-1-carboxamide is CCONC(=O)C1(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-N-ethoxycyclopropane-1-carboxamide?
The InChIKey is KGKSTPYRUWPNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-2-11-9-6(10)7(5-8)3-4-7/h2-5,8H2,1H3,(H,9,10).
What are the key properties of 1-(aminomethyl)-N-ethoxycyclopropane-1-carboxamide?
1-(aminomethyl)-N-ethoxycyclopropane-1-carboxamide has a molecular weight of 158.20 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethoxycyclopropane-1-carboxamide is sourced from PubChem (CID 115453415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).