N-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-1-ethyl-N-methylpiperidin-4-amine

C18H37N3 — CID 79842868

IUPACN-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-1-ethyl-N-methylpiperidin-4-amine
SMILESCCN1CCC(N(C)CC2CCCC(C)(C)C2NC)CC1
InChIInChI=1S/C18H37N3/c1-6-21-12-9-16(10-13-21)20(5)14-15-8-7-11-18(2,3)17(15)19-4/h15-17,19H,6-14H2,1-5H3
InChIKeyQOKMOISNVSIBDX-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.82
Rot. Bonds5

About N-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-1-ethyl-N-methylpiperidin-4-amine

N-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-1-ethyl-N-methylpiperidin-4-amine (PubChem CID 79842868) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is N-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-1-ethyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-1-ethyl-N-methylpiperidin-4-amine
PubChem CID79842868
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC NameN-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-1-ethyl-N-methylpiperidin-4-amine
SMILESCCN1CCC(N(C)CC2CCCC(C)(C)C2NC)CC1
InChIInChI=1S/C18H37N3/c1-6-21-12-9-16(10-13-21)20(5)14-15-8-7-11-18(2,3)17(15)19-4/h15-17,19H,6-14H2,1-5H3
InChIKeyQOKMOISNVSIBDX-UHFFFAOYSA-N
XLogP2.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,2-trimethyl-6-[[methyl-(2-methylcyclohexyl)amino]methyl]cyclohexan-1-amine
CID 79849107
N,2,2-trimethyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-amine
CID 79853096
2-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl-methylamino]ethanol
CID 79853440
N-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl]-N-methyloxan-4-amine
CID 79853528
N-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-methyloxolan-3-amine
CID 82743146
N-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-methylthiolan-3-amine
CID 79865895
6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N,2,2-trimethylcyclohexan-1-amine
CID 79852225
N'-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 79842638
ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylcyclobutanamine
CID 171641475
N,2,2-trimethyl-6-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 79852306
1-N-(cyclopentylmethyl)-1-N,2-N,3,3-tetramethylcyclohexane-1,2-diamine
CID 79828953
6-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79842409

Frequently Asked Questions

What is the IUPAC name of N-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-1-ethyl-N-methylpiperidin-4-amine?
The IUPAC name of N-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-1-ethyl-N-methylpiperidin-4-amine (CID 79842868) is N-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-1-ethyl-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-1-ethyl-N-methylpiperidin-4-amine?
The canonical SMILES for N-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-1-ethyl-N-methylpiperidin-4-amine is CCN1CCC(N(C)CC2CCCC(C)(C)C2NC)CC1.
What is the InChIKey of N-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-1-ethyl-N-methylpiperidin-4-amine?
The InChIKey is QOKMOISNVSIBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-6-21-12-9-16(10-13-21)20(5)14-15-8-7-11-18(2,3)17(15)19-4/h15-17,19H,6-14H2,1-5H3.
What are the key properties of N-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-1-ethyl-N-methylpiperidin-4-amine?
N-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-1-ethyl-N-methylpiperidin-4-amine has a molecular weight of 295.51 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-1-ethyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 79842868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).