4-[[methyl(oxan-4-yl)amino]methyl]cyclohexane-1-carboxamide

C14H26N2O2 — CID 67523740

IUPAC4-[[methyl(oxan-4-yl)amino]methyl]cyclohexane-1-carboxamide
SMILESCN(CC1CCC(C(N)=O)CC1)C1CCOCC1
InChIInChI=1S/C14H26N2O2/c1-16(13-6-8-18-9-7-13)10-11-2-4-12(5-3-11)14(15)17/h11-13H,2-10H2,1H3,(H2,15,17)
InChIKeyBLAUKNKVYJZCLQ-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.39
Rot. Bonds4

About 4-[[methyl(oxan-4-yl)amino]methyl]cyclohexane-1-carboxamide

4-[[methyl(oxan-4-yl)amino]methyl]cyclohexane-1-carboxamide (PubChem CID 67523740) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-[[methyl(oxan-4-yl)amino]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[methyl(oxan-4-yl)amino]methyl]cyclohexane-1-carboxamide
PubChem CID67523740
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name4-[[methyl(oxan-4-yl)amino]methyl]cyclohexane-1-carboxamide
SMILESCN(CC1CCC(C(N)=O)CC1)C1CCOCC1
InChIInChI=1S/C14H26N2O2/c1-16(13-6-8-18-9-7-13)10-11-2-4-12(5-3-11)14(15)17/h11-13H,2-10H2,1H3,(H2,15,17)
InChIKeyBLAUKNKVYJZCLQ-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(oxan-4-yl)amino]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[[methyl(oxan-4-yl)amino]methyl]cyclohexane-1-carboxamide (CID 67523740) is 4-[[methyl(oxan-4-yl)amino]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[methyl(oxan-4-yl)amino]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[methyl(oxan-4-yl)amino]methyl]cyclohexane-1-carboxamide is CN(CC1CCC(C(N)=O)CC1)C1CCOCC1.
What is the InChIKey of 4-[[methyl(oxan-4-yl)amino]methyl]cyclohexane-1-carboxamide?
The InChIKey is BLAUKNKVYJZCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-16(13-6-8-18-9-7-13)10-11-2-4-12(5-3-11)14(15)17/h11-13H,2-10H2,1H3,(H2,15,17).
What are the key properties of 4-[[methyl(oxan-4-yl)amino]methyl]cyclohexane-1-carboxamide?
4-[[methyl(oxan-4-yl)amino]methyl]cyclohexane-1-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(oxan-4-yl)amino]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 67523740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).