N-methyl-N-[[4-[4-(3-methylbutyl)piperazin-1-yl]cyclohexyl]methyl]propan-2-amine

C20H41N3 — CID 176612367

IUPACN-methyl-N-[[4-[4-(3-methylbutyl)piperazin-1-yl]cyclohexyl]methyl]propan-2-amine
SMILESCC(C)CCN1CCN(C2CCC(CN(C)C(C)C)CC2)CC1
InChIInChI=1S/C20H41N3/c1-17(2)10-11-22-12-14-23(15-13-22)20-8-6-19(7-9-20)16-21(5)18(3)4/h17-20H,6-16H2,1-5H3
InChIKeyWAONIBWEXKSNGH-UHFFFAOYSA-N
MW323.57 g/mol
LogP3.55
Rot. Bonds7

About N-methyl-N-[[4-[4-(3-methylbutyl)piperazin-1-yl]cyclohexyl]methyl]propan-2-amine

N-methyl-N-[[4-[4-(3-methylbutyl)piperazin-1-yl]cyclohexyl]methyl]propan-2-amine (PubChem CID 176612367) has the molecular formula C20H41N3 and a molecular weight of 323.57 g/mol. Its IUPAC name is N-methyl-N-[[4-[4-(3-methylbutyl)piperazin-1-yl]cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[[4-[4-(3-methylbutyl)piperazin-1-yl]cyclohexyl]methyl]propan-2-amine
PubChem CID176612367
Molecular FormulaC20H41N3
Molecular Weight323.57 g/mol
Exact Mass323.33
IUPAC NameN-methyl-N-[[4-[4-(3-methylbutyl)piperazin-1-yl]cyclohexyl]methyl]propan-2-amine
SMILESCC(C)CCN1CCN(C2CCC(CN(C)C(C)C)CC2)CC1
InChIInChI=1S/C20H41N3/c1-17(2)10-11-22-12-14-23(15-13-22)20-8-6-19(7-9-20)16-21(5)18(3)4/h17-20H,6-16H2,1-5H3
InChIKeyWAONIBWEXKSNGH-UHFFFAOYSA-N
XLogP3.55
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.57
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-[[4-[4-(3-methylbutyl)piperazin-1-yl]cyclohexyl]methyl]propan-2-amine with MolForge

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Related Compounds

bis(N-(cyclopropylmethyl)-N-methylpropan-2-amine);bis(3-methylbutylcyclopropane)
CID 167643332
N-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-4-methylpentan-1-amine
CID 62556377
N-[(4-ethylcyclohexyl)methyl]-N-methylpropan-2-amine
CID 170952528
1-cyclopropyl-4-[3-(4-methylpiperazin-1-yl)butyl]piperazine
CID 130429186
2-[3-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]ethanol
CID 66567812
N,N-dimethyl-2-[4-(3-methylbutyl)piperazin-1-yl]ethanamine
CID 164595282
1-(4-cyclopropylpiperazin-1-yl)-4,4-dimethylpentan-3-ol
CID 62623930
N-(cyclohexylmethyl)-N-methylpropan-2-amine
CID 18711540
1-cyclopropyl-4-(2-propan-2-yloxyethyl)piperazine
CID 166028340
N-ethyl-N-methyl-1-(3-methylbutyl)piperidin-4-amine
CID 155404879
N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylpropan-2-amine
CID 96554802
1-[1-(3-methylbutyl)pyrrolidin-3-yl]piperidine
CID 155151188

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-[4-(3-methylbutyl)piperazin-1-yl]cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-methyl-N-[[4-[4-(3-methylbutyl)piperazin-1-yl]cyclohexyl]methyl]propan-2-amine (CID 176612367) is N-methyl-N-[[4-[4-(3-methylbutyl)piperazin-1-yl]cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-methyl-N-[[4-[4-(3-methylbutyl)piperazin-1-yl]cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-methyl-N-[[4-[4-(3-methylbutyl)piperazin-1-yl]cyclohexyl]methyl]propan-2-amine is CC(C)CCN1CCN(C2CCC(CN(C)C(C)C)CC2)CC1.
What is the InChIKey of N-methyl-N-[[4-[4-(3-methylbutyl)piperazin-1-yl]cyclohexyl]methyl]propan-2-amine?
The InChIKey is WAONIBWEXKSNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N3/c1-17(2)10-11-22-12-14-23(15-13-22)20-8-6-19(7-9-20)16-21(5)18(3)4/h17-20H,6-16H2,1-5H3.
What are the key properties of N-methyl-N-[[4-[4-(3-methylbutyl)piperazin-1-yl]cyclohexyl]methyl]propan-2-amine?
N-methyl-N-[[4-[4-(3-methylbutyl)piperazin-1-yl]cyclohexyl]methyl]propan-2-amine has a molecular weight of 323.57 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-[4-(3-methylbutyl)piperazin-1-yl]cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 176612367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).