N-ethyl-2,2-dimethyl-6-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine

C17H36N2 — CID 79853183

IUPACN-ethyl-2,2-dimethyl-6-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine
SMILESCCCC(C)N(C)CC1CCCC(C)(C)C1NCC
InChIInChI=1S/C17H36N2/c1-7-10-14(3)19(6)13-15-11-9-12-17(4,5)16(15)18-8-2/h14-16,18H,7-13H2,1-6H3
InChIKeyFFOSDSYQLBEDBT-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.91
Rot. Bonds7

About N-ethyl-2,2-dimethyl-6-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine

N-ethyl-2,2-dimethyl-6-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine (PubChem CID 79853183) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-6-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-6-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine
PubChem CID79853183
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN-ethyl-2,2-dimethyl-6-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine
SMILESCCCC(C)N(C)CC1CCCC(C)(C)C1NCC
InChIInChI=1S/C17H36N2/c1-7-10-14(3)19(6)13-15-11-9-12-17(4,5)16(15)18-8-2/h14-16,18H,7-13H2,1-6H3
InChIKeyFFOSDSYQLBEDBT-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2,2-dimethyl-6-[[methyl(2-methylpropyl)amino]methyl]cyclohexan-1-amine
CID 79852388
N-ethyl-2,2-dimethyl-6-[[methyl(2-methylbutyl)amino]methyl]cyclohexan-1-amine
CID 79853433
N-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl]-N-methyloxan-4-amine
CID 79853528
N-ethyl-6-[[ethyl(2-methylpropyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79853430
N-ethyl-2,2-dimethyl-6-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-amine
CID 79842872
N-ethyl-6-[[ethyl(propyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79853175
N-ethyl-6-[[2-methoxyethyl(propan-2-yl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 82953409
5-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl-methylamino]pentan-1-ol
CID 107204583
N-ethyl-6-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79853277
N-ethyl-6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79849429
N-ethyl-2,2-dimethyl-5-[[methyl(2-methylbutyl)amino]methyl]cyclopentan-1-amine
CID 79865601
N'-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 79849117

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-6-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-6-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine (CID 79853183) is N-ethyl-2,2-dimethyl-6-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-6-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-6-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine is CCCC(C)N(C)CC1CCCC(C)(C)C1NCC.
What is the InChIKey of N-ethyl-2,2-dimethyl-6-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine?
The InChIKey is FFOSDSYQLBEDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-7-10-14(3)19(6)13-15-11-9-12-17(4,5)16(15)18-8-2/h14-16,18H,7-13H2,1-6H3.
What are the key properties of N-ethyl-2,2-dimethyl-6-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine?
N-ethyl-2,2-dimethyl-6-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-6-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 79853183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).