N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-methylcyclohexan-1-amine

C14H28N2O — CID 115440047

IUPACN-[[4-(aminomethyl)oxan-4-yl]methyl]-1-methylcyclohexan-1-amine
SMILESCC1(NCC2(CN)CCOCC2)CCCCC1
InChIInChI=1S/C14H28N2O/c1-13(5-3-2-4-6-13)16-12-14(11-15)7-9-17-10-8-14/h16H,2-12,15H2,1H3
InChIKeyGJRHLPTZZXKTSZ-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.05
Rot. Bonds4

About N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-methylcyclohexan-1-amine

N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-methylcyclohexan-1-amine (PubChem CID 115440047) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-1-methylcyclohexan-1-amine
PubChem CID115440047
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-1-methylcyclohexan-1-amine
SMILESCC1(NCC2(CN)CCOCC2)CCCCC1
InChIInChI=1S/C14H28N2O/c1-13(5-3-2-4-6-13)16-12-14(11-15)7-9-17-10-8-14/h16H,2-12,15H2,1H3
InChIKeyGJRHLPTZZXKTSZ-UHFFFAOYSA-N
XLogP2.05
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-4-N-(1-methylcyclohexyl)oxane-3,4-diamine
CID 58381295
(3S)-4-N-(1-methylcyclohexyl)oxane-3,4-diamine
CID 68264614
4-N-(1-methylcyclohexyl)oxane-3,4-diamine
CID 71741912
N-[(4-methyloxan-4-yl)methyl]cyclohexanamine
CID 115684878
N-[4-(isocyanomethyl)-4-methylcyclohexyl]oxan-4-amine
CID 141642765
N-(1-methylcyclohexyl)oxan-4-amine
CID 144230173
4-(Ethoxymethyl)-4-propylpiperidine
CID 171831789
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 55065898
N-[[4-(diethylaminomethyl)oxan-4-yl]methyl]-2-methylpropan-2-amine
CID 55066038
N,N-dimethyl-1-[(oxan-4-ylmethylamino)methyl]cyclohexan-1-amine
CID 55066169
2,2,6,6-tetramethyl-N-(oxan-4-ylmethyl)piperidin-4-amine
CID 55066267
N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]cyclohexanamine
CID 55066283

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-methylcyclohexan-1-amine?
The IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-methylcyclohexan-1-amine (CID 115440047) is N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-methylcyclohexan-1-amine.
What is the SMILES notation for N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-methylcyclohexan-1-amine?
The canonical SMILES for N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-methylcyclohexan-1-amine is CC1(NCC2(CN)CCOCC2)CCCCC1.
What is the InChIKey of N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-methylcyclohexan-1-amine?
The InChIKey is GJRHLPTZZXKTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-13(5-3-2-4-6-13)16-12-14(11-15)7-9-17-10-8-14/h16H,2-12,15H2,1H3.
What are the key properties of N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-methylcyclohexan-1-amine?
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-methylcyclohexan-1-amine has a molecular weight of 240.39 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-methylcyclohexan-1-amine is sourced from PubChem (CID 115440047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).