N-ethyl-3,5-dimethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexan-1-amine

C18H37N3 — CID 79310026

IUPACN-ethyl-3,5-dimethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1CN(C)CC1CCCN1C
InChIInChI=1S/C18H37N3/c1-6-19-18-11-14(2)10-15(3)17(18)13-20(4)12-16-8-7-9-21(16)5/h14-19H,6-13H2,1-5H3
InChIKeyUJGNGIOHEBKNDK-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.67
Rot. Bonds6

About N-ethyl-3,5-dimethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexan-1-amine

N-ethyl-3,5-dimethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexan-1-amine (PubChem CID 79310026) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is N-ethyl-3,5-dimethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,5-dimethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexan-1-amine
PubChem CID79310026
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC NameN-ethyl-3,5-dimethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1CN(C)CC1CCCN1C
InChIInChI=1S/C18H37N3/c1-6-19-18-11-14(2)10-15(3)17(18)13-20(4)12-16-8-7-9-21(16)5/h14-19H,6-13H2,1-5H3
InChIKeyUJGNGIOHEBKNDK-UHFFFAOYSA-N
XLogP2.67
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-diethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 79310261
2-[[cyclopropyl(methyl)amino]methyl]-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64737005
2-N-ethyl-1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]cyclopentane-1,2-diamine
CID 79313963
2-[[ethyl(methyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64736412
N-ethyl-3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 64736016
N-ethyl-3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 64736598
N-ethyl-3,5-dimethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine
CID 64734674
N-[[2-(ethylamino)-4,6-dimethylcyclohexyl]methyl]-N,2-dimethyloxolan-3-amine
CID 82744008
2-N,4-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-propylcyclohexane-1,2-diamine
CID 79313888
N-ethyl-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine
CID 79314716
N-methyl-1-(1-methylpyrrolidin-2-yl)-N-[(3-methylpyrrolidin-2-yl)methyl]methanamine
CID 102776104
4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propyloxolan-3-amine
CID 79320006

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-dimethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexan-1-amine?
The IUPAC name of N-ethyl-3,5-dimethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexan-1-amine (CID 79310026) is N-ethyl-3,5-dimethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-3,5-dimethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexan-1-amine?
The canonical SMILES for N-ethyl-3,5-dimethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexan-1-amine is CCNC1CC(C)CC(C)C1CN(C)CC1CCCN1C.
What is the InChIKey of N-ethyl-3,5-dimethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexan-1-amine?
The InChIKey is UJGNGIOHEBKNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-6-19-18-11-14(2)10-15(3)17(18)13-20(4)12-16-8-7-9-21(16)5/h14-19H,6-13H2,1-5H3.
What are the key properties of N-ethyl-3,5-dimethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexan-1-amine?
N-ethyl-3,5-dimethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexan-1-amine has a molecular weight of 295.51 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5-dimethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 79310026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).