1-(aminomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide

C13H24N2O2 — CID 80587914

IUPAC1-(aminomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
SMILESNCC1(C(=O)N(CCO)C2CCCCC2)CC1
InChIInChI=1S/C13H24N2O2/c14-10-13(6-7-13)12(17)15(8-9-16)11-4-2-1-3-5-11/h11,16H,1-10,14H2
InChIKeyFPYSTEHAIDVWQP-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.88
Rot. Bonds5

About 1-(aminomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide

1-(aminomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide (PubChem CID 80587914) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(aminomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
PubChem CID80587914
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(aminomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
SMILESNCC1(C(=O)N(CCO)C2CCCCC2)CC1
InChIInChI=1S/C13H24N2O2/c14-10-13(6-7-13)12(17)15(8-9-16)11-4-2-1-3-5-11/h11,16H,1-10,14H2
InChIKeyFPYSTEHAIDVWQP-UHFFFAOYSA-N
XLogP0.88
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide (CID 80587914) is 1-(aminomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide is NCC1(C(=O)N(CCO)C2CCCCC2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide?
The InChIKey is FPYSTEHAIDVWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c14-10-13(6-7-13)12(17)15(8-9-16)11-4-2-1-3-5-11/h11,16H,1-10,14H2.
What are the key properties of 1-(aminomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80587914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).