N-ethyl-3-[[methyl-(4-methylcyclohexyl)amino]methyl]oxan-4-amine

C16H32N2O — CID 103059662

IUPACN-ethyl-3-[[methyl-(4-methylcyclohexyl)amino]methyl]oxan-4-amine
SMILESCCNC1CCOCC1CN(C)C1CCC(C)CC1
InChIInChI=1S/C16H32N2O/c1-4-17-16-9-10-19-12-14(16)11-18(3)15-7-5-13(2)6-8-15/h13-17H,4-12H2,1-3H3
InChIKeyYSKBVXAWHGNBKP-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.51
Rot. Bonds5

About N-ethyl-3-[[methyl-(4-methylcyclohexyl)amino]methyl]oxan-4-amine

N-ethyl-3-[[methyl-(4-methylcyclohexyl)amino]methyl]oxan-4-amine (PubChem CID 103059662) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-ethyl-3-[[methyl-(4-methylcyclohexyl)amino]methyl]oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-[[methyl-(4-methylcyclohexyl)amino]methyl]oxan-4-amine
PubChem CID103059662
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-ethyl-3-[[methyl-(4-methylcyclohexyl)amino]methyl]oxan-4-amine
SMILESCCNC1CCOCC1CN(C)C1CCC(C)CC1
InChIInChI=1S/C16H32N2O/c1-4-17-16-9-10-19-12-14(16)11-18(3)15-7-5-13(2)6-8-15/h13-17H,4-12H2,1-3H3
InChIKeyYSKBVXAWHGNBKP-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[cyclopropyl(methyl)amino]methyl]-N-propyloxan-4-amine
CID 103058724
N-ethyl-4-[[methyl(oxolan-3-yl)amino]methyl]oxolan-3-amine
CID 82739733
3-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-N-ethyloxan-4-amine
CID 103060336
4-N-ethyl-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]oxane-3,4-diamine
CID 63878563
3-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethyloxan-4-amine
CID 103060650
2-[[cyclopropyl(methyl)amino]methyl]-N-ethylcyclohexan-1-amine
CID 62616008
4-[[methyl-(4-methylcyclohexyl)amino]methyl]oxolan-3-amine
CID 66236926
N-ethyl-3-[(4-ethyl-N-methylanilino)methyl]oxan-4-amine
CID 103059424
3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-ethyloxan-4-amine
CID 103061010
N-ethyl-3-[[2-methylpropyl(propan-2-yl)amino]methyl]oxan-4-amine
CID 103059669
N-[[2-(ethylamino)-5-propan-2-ylcyclohexyl]methyl]-N-methyloxolan-3-amine
CID 82744332
N-ethyl-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]oxan-4-amine
CID 103059842

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[methyl-(4-methylcyclohexyl)amino]methyl]oxan-4-amine?
The IUPAC name of N-ethyl-3-[[methyl-(4-methylcyclohexyl)amino]methyl]oxan-4-amine (CID 103059662) is N-ethyl-3-[[methyl-(4-methylcyclohexyl)amino]methyl]oxan-4-amine.
What is the SMILES notation for N-ethyl-3-[[methyl-(4-methylcyclohexyl)amino]methyl]oxan-4-amine?
The canonical SMILES for N-ethyl-3-[[methyl-(4-methylcyclohexyl)amino]methyl]oxan-4-amine is CCNC1CCOCC1CN(C)C1CCC(C)CC1.
What is the InChIKey of N-ethyl-3-[[methyl-(4-methylcyclohexyl)amino]methyl]oxan-4-amine?
The InChIKey is YSKBVXAWHGNBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-17-16-9-10-19-12-14(16)11-18(3)15-7-5-13(2)6-8-15/h13-17H,4-12H2,1-3H3.
What are the key properties of N-ethyl-3-[[methyl-(4-methylcyclohexyl)amino]methyl]oxan-4-amine?
N-ethyl-3-[[methyl-(4-methylcyclohexyl)amino]methyl]oxan-4-amine has a molecular weight of 268.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[methyl-(4-methylcyclohexyl)amino]methyl]oxan-4-amine is sourced from PubChem (CID 103059662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).