1-(aminomethyl)-N-ethyl-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine

C16H33N3O — CID 79171980

IUPAC1-(aminomethyl)-N-ethyl-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine
SMILESCCN(CC1CN(C)CCO1)C1(CN)CCC(C)CC1
InChIInChI=1S/C16H33N3O/c1-4-19(12-15-11-18(3)9-10-20-15)16(13-17)7-5-14(2)6-8-16/h14-15H,4-13,17H2,1-3H3
InChIKeyUAZKAOHTBGDSBJ-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.55
Rot. Bonds5

About 1-(aminomethyl)-N-ethyl-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine

1-(aminomethyl)-N-ethyl-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine (PubChem CID 79171980) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine
PubChem CID79171980
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name1-(aminomethyl)-N-ethyl-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine
SMILESCCN(CC1CN(C)CCO1)C1(CN)CCC(C)CC1
InChIInChI=1S/C16H33N3O/c1-4-19(12-15-11-18(3)9-10-20-15)16(13-17)7-5-14(2)6-8-16/h14-15H,4-13,17H2,1-3H3
InChIKeyUAZKAOHTBGDSBJ-UHFFFAOYSA-N
XLogP1.55
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-ethyl-4-methyl-N-(oxolan-2-ylmethyl)cycloheptan-1-amine
CID 65085089
1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 65458490
1-(aminomethyl)-N,4-diethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
CID 62007723
4-(aminomethyl)-N,1-diethyl-N-(oxolan-2-ylmethyl)piperidin-4-amine
CID 61434002
1-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 61433810
1-(aminomethyl)-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine
CID 103562711
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1-methylazepan-4-amine
CID 107397807
1-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 62703920
[1-(2-ethylmorpholin-4-yl)-4-methylcyclohexyl]methanamine
CID 43562544
N'-(2-aminoethyl)-N'-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine
CID 79171859
N'-cyclopropyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine
CID 79172178
4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-1-propylpiperidin-4-amine
CID 63955749

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine (CID 79171980) is 1-(aminomethyl)-N-ethyl-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine is CCN(CC1CN(C)CCO1)C1(CN)CCC(C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is UAZKAOHTBGDSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-4-19(12-15-11-18(3)9-10-20-15)16(13-17)7-5-14(2)6-8-16/h14-15H,4-13,17H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine?
1-(aminomethyl)-N-ethyl-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 283.46 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 79171980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).