3-(cyclopropylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide

C14H26N2O2 — CID 65120119

IUPAC3-(cyclopropylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide
SMILESCC1CCC(O)(CNC(=O)CCNC2CC2)CC1
InChIInChI=1S/C14H26N2O2/c1-11-4-7-14(18,8-5-11)10-16-13(17)6-9-15-12-2-3-12/h11-12,15,18H,2-10H2,1H3,(H,16,17)
InChIKeyHNUFADVDUMSERM-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.19
Rot. Bonds6

About 3-(cyclopropylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide

3-(cyclopropylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide (PubChem CID 65120119) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide
PubChem CID65120119
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-(cyclopropylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide
SMILESCC1CCC(O)(CNC(=O)CCNC2CC2)CC1
InChIInChI=1S/C14H26N2O2/c1-11-4-7-14(18,8-5-11)10-16-13(17)6-9-15-12-2-3-12/h11-12,15,18H,2-10H2,1H3,(H,16,17)
InChIKeyHNUFADVDUMSERM-UHFFFAOYSA-N
XLogP1.19
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide?
The IUPAC name of 3-(cyclopropylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide (CID 65120119) is 3-(cyclopropylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide is CC1CCC(O)(CNC(=O)CCNC2CC2)CC1.
What is the InChIKey of 3-(cyclopropylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide?
The InChIKey is HNUFADVDUMSERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11-4-7-14(18,8-5-11)10-16-13(17)6-9-15-12-2-3-12/h11-12,15,18H,2-10H2,1H3,(H,16,17).
What are the key properties of 3-(cyclopropylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide?
3-(cyclopropylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide has a molecular weight of 254.37 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide is sourced from PubChem (CID 65120119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).