N,4-diethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexan-1-amine

C18H37N3 — CID 79310261

IUPACN,4-diethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1CN(C)CC1CCCN1C
InChIInChI=1S/C18H37N3/c1-5-15-9-10-18(19-6-2)16(12-15)13-20(3)14-17-8-7-11-21(17)4/h15-19H,5-14H2,1-4H3
InChIKeyRYSJRWAHBBUOCA-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.82
Rot. Bonds7

About N,4-diethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexan-1-amine

N,4-diethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexan-1-amine (PubChem CID 79310261) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is N,4-diethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,4-diethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexan-1-amine
PubChem CID79310261
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC NameN,4-diethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1CN(C)CC1CCCN1C
InChIInChI=1S/C18H37N3/c1-5-15-9-10-18(19-6-2)16(12-15)13-20(3)14-17-8-7-11-21(17)4/h15-19H,5-14H2,1-4H3
InChIKeyRYSJRWAHBBUOCA-UHFFFAOYSA-N
XLogP2.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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,4-diethyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 63274181
N,4-diethyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 62609986
N-ethyl-3,5-dimethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 79310026
N,4-diethyl-2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 63636012
2-N-ethyl-1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]cyclopentane-1,2-diamine
CID 79313963
4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propyloxolan-3-amine
CID 79320006
N,4-diethyl-2-[[methyl-(2-methylcyclohexyl)amino]methyl]cyclohexan-1-amine
CID 63493739
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N,4-diethylcyclohexan-1-amine
CID 63493475
N-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-amine
CID 63482113
2-[4-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]piperazin-1-yl]ethanol
CID 62614447
2-butyl-N,4-diethylcyclohexan-1-amine
CID 63403670
1-N,2-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-4-propylcyclohexane-1,2-diamine
CID 79314207

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexan-1-amine?
The IUPAC name of N,4-diethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexan-1-amine (CID 79310261) is N,4-diethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for N,4-diethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexan-1-amine?
The canonical SMILES for N,4-diethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexan-1-amine is CCNC1CCC(CC)CC1CN(C)CC1CCCN1C.
What is the InChIKey of N,4-diethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexan-1-amine?
The InChIKey is RYSJRWAHBBUOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-5-15-9-10-18(19-6-2)16(12-15)13-20(3)14-17-8-7-11-21(17)4/h15-19H,5-14H2,1-4H3.
What are the key properties of N,4-diethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexan-1-amine?
N,4-diethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexan-1-amine has a molecular weight of 295.51 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 79310261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).