N-[(4-methyloxan-4-yl)methyl]cyclohexanamine

C13H25NO — CID 115684878

IUPACN-[(4-methyloxan-4-yl)methyl]cyclohexanamine
SMILESCC1(CNC2CCCCC2)CCOCC1
InChIInChI=1S/C13H25NO/c1-13(7-9-15-10-8-13)11-14-12-5-3-2-4-6-12/h12,14H,2-11H2,1H3
InChIKeyYUFWCGVZQVOENM-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.73
Rot. Bonds3

About N-[(4-methyloxan-4-yl)methyl]cyclohexanamine

N-[(4-methyloxan-4-yl)methyl]cyclohexanamine (PubChem CID 115684878) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-[(4-methyloxan-4-yl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(4-methyloxan-4-yl)methyl]cyclohexanamine
PubChem CID115684878
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-[(4-methyloxan-4-yl)methyl]cyclohexanamine
SMILESCC1(CNC2CCCCC2)CCOCC1
InChIInChI=1S/C13H25NO/c1-13(7-9-15-10-8-13)11-14-12-5-3-2-4-6-12/h12,14H,2-11H2,1H3
InChIKeyYUFWCGVZQVOENM-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyloxan-4-yl)methyl]cyclohexanamine?
The IUPAC name of N-[(4-methyloxan-4-yl)methyl]cyclohexanamine (CID 115684878) is N-[(4-methyloxan-4-yl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(4-methyloxan-4-yl)methyl]cyclohexanamine?
The canonical SMILES for N-[(4-methyloxan-4-yl)methyl]cyclohexanamine is CC1(CNC2CCCCC2)CCOCC1.
What is the InChIKey of N-[(4-methyloxan-4-yl)methyl]cyclohexanamine?
The InChIKey is YUFWCGVZQVOENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-13(7-9-15-10-8-13)11-14-12-5-3-2-4-6-12/h12,14H,2-11H2,1H3.
What are the key properties of N-[(4-methyloxan-4-yl)methyl]cyclohexanamine?
N-[(4-methyloxan-4-yl)methyl]cyclohexanamine has a molecular weight of 211.35 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyloxan-4-yl)methyl]cyclohexanamine is sourced from PubChem (CID 115684878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).