1-(aminomethyl)-N,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine

C15H32N2O — CID 112588440

IUPAC1-(aminomethyl)-N,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine
SMILESCC1CCCC(CN)(N(C)CCOC(C)(C)C)C1
InChIInChI=1S/C15H32N2O/c1-13-7-6-8-15(11-13,12-16)17(5)9-10-18-14(2,3)4/h13H,6-12,16H2,1-5H3
InChIKeyJAQGNTDPEDOCOH-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.64
Rot. Bonds5

About 1-(aminomethyl)-N,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine

1-(aminomethyl)-N,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine (PubChem CID 112588440) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-(aminomethyl)-N,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine
PubChem CID112588440
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name1-(aminomethyl)-N,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine
SMILESCC1CCCC(CN)(N(C)CCOC(C)(C)C)C1
InChIInChI=1S/C15H32N2O/c1-13-7-6-8-15(11-13,12-16)17(5)9-10-18-14(2,3)4/h13H,6-12,16H2,1-5H3
InChIKeyJAQGNTDPEDOCOH-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,2-Dimethylmorpholin-4-yl)cyclohexyl]methanamine
CID 43592696
[3-Methyl-1-(2-methylmorpholin-4-yl)cyclohexyl]methanamine
CID 24708366
N,N,3-trimethyl-1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-amine
CID 61490311
1-(aminomethyl)-N-ethyl-3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 62004899
1-(aminomethyl)-3-methyl-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 62005077
1-(aminomethyl)-N,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 62006769
[1-(2,2-Dimethylmorpholin-4-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
CID 64757008
1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757009
1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757012
1-(aminomethyl)-N,N-bis(2-methoxyethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757407
1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757409
[3-(Trifluoromethyl)-1-(2,2,6-trimethylmorpholin-4-yl)cyclohexyl]methanamine
CID 64757609

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine (CID 112588440) is 1-(aminomethyl)-N,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine is CC1CCCC(CN)(N(C)CCOC(C)(C)C)C1.
What is the InChIKey of 1-(aminomethyl)-N,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine?
The InChIKey is JAQGNTDPEDOCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-13-7-6-8-15(11-13,12-16)17(5)9-10-18-14(2,3)4/h13H,6-12,16H2,1-5H3.
What are the key properties of 1-(aminomethyl)-N,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine?
1-(aminomethyl)-N,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine has a molecular weight of 256.43 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine is sourced from PubChem (CID 112588440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).