4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]cyclohexane-1-carboxamide

C15H28N2O2 — CID 104694634

IUPAC4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]cyclohexane-1-carboxamide
SMILESCOCCC1(CNC(=O)C2CCC(CN)CC2)CC1
InChIInChI=1S/C15H28N2O2/c1-19-9-8-15(6-7-15)11-17-14(18)13-4-2-12(10-16)3-5-13/h12-13H,2-11,16H2,1H3,(H,17,18)
InChIKeyNKDSXWGVFQGXSV-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.68
Rot. Bonds7

About 4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]cyclohexane-1-carboxamide

4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]cyclohexane-1-carboxamide (PubChem CID 104694634) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]cyclohexane-1-carboxamide
PubChem CID104694634
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]cyclohexane-1-carboxamide
SMILESCOCCC1(CNC(=O)C2CCC(CN)CC2)CC1
InChIInChI=1S/C15H28N2O2/c1-19-9-8-15(6-7-15)11-17-14(18)13-4-2-12(10-16)3-5-13/h12-13H,2-11,16H2,1H3,(H,17,18)
InChIKeyNKDSXWGVFQGXSV-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]cyclohexane-1-carboxamide (CID 104694634) is 4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]cyclohexane-1-carboxamide is COCCC1(CNC(=O)C2CCC(CN)CC2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is NKDSXWGVFQGXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-19-9-8-15(6-7-15)11-17-14(18)13-4-2-12(10-16)3-5-13/h12-13H,2-11,16H2,1H3,(H,17,18).
What are the key properties of 4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]cyclohexane-1-carboxamide?
4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 104694634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).