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

C19H40N2 — CID 79842872

IUPACN-ethyl-2,2-dimethyl-6-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-amine
SMILESCCCCCN(CC1CCCC(C)(C)C1NCC)C(C)C
InChIInChI=1S/C19H40N2/c1-7-9-10-14-21(16(3)4)15-17-12-11-13-19(5,6)18(17)20-8-2/h16-18,20H,7-15H2,1-6H3
InChIKeyBEFNDRBWTFJFGC-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.69
Rot. Bonds9

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

N-ethyl-2,2-dimethyl-6-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-amine (PubChem CID 79842872) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-6-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-6-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-amine
PubChem CID79842872
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC NameN-ethyl-2,2-dimethyl-6-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-amine
SMILESCCCCCN(CC1CCCC(C)(C)C1NCC)C(C)C
InChIInChI=1S/C19H40N2/c1-7-9-10-14-21(16(3)4)15-17-12-11-13-19(5,6)18(17)20-8-2/h16-18,20H,7-15H2,1-6H3
InChIKeyBEFNDRBWTFJFGC-UHFFFAOYSA-N
XLogP4.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-ethyl-2,2-dimethyl-6-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-amine with MolForge

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Related Compounds

N-ethyl-6-[[2-methoxyethyl(propan-2-yl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 82953409
N-ethyl-2,2-dimethyl-6-[[methyl(2-methylpropyl)amino]methyl]cyclohexan-1-amine
CID 79852388
N-ethyl-2,2-dimethyl-6-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine
CID 79853183
N-ethyl-6-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79853277
5-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl-methylamino]pentan-1-ol
CID 107204583
N-ethyl-6-[[ethyl(propyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79853175
N-ethyl-2,2-dimethyl-6-[[methyl(2-methylbutyl)amino]methyl]cyclohexan-1-amine
CID 79853433
N-ethyl-6-[[ethyl(2-methylpropyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79853430
N-ethyl-6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79849429
5-[[butyl(methyl)amino]methyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79867055
N-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl]-N-methyloxan-4-amine
CID 79853528
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-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-6-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-amine (CID 79842872) is N-ethyl-2,2-dimethyl-6-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-6-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-6-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-amine is CCCCCN(CC1CCCC(C)(C)C1NCC)C(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-6-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-amine?
The InChIKey is BEFNDRBWTFJFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-7-9-10-14-21(16(3)4)15-17-12-11-13-19(5,6)18(17)20-8-2/h16-18,20H,7-15H2,1-6H3.
What are the key properties of N-ethyl-2,2-dimethyl-6-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-amine?
N-ethyl-2,2-dimethyl-6-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-amine has a molecular weight of 296.54 g/mol, XLogP of 4.69, 9 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-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 79842872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).