ethane;N'-(1-ethylpiperidin-4-yl)-N'-methylmethanediamine

C11H27N3 — CID 142615692

IUPACethane;N'-(1-ethylpiperidin-4-yl)-N'-methylmethanediamine
SMILESCC.CCN1CCC(N(C)CN)CC1
InChIInChI=1S/C9H21N3.C2H6/c1-3-12-6-4-9(5-7-12)11(2)8-10;1-2/h9H,3-8,10H2,1-2H3;1-2H3
InChIKeyUPJHZNDVFQZVOH-UHFFFAOYSA-N
MW201.36 g/mol
LogP1.34
Rot. Bonds3

About ethane;N'-(1-ethylpiperidin-4-yl)-N'-methylmethanediamine

ethane;N'-(1-ethylpiperidin-4-yl)-N'-methylmethanediamine (PubChem CID 142615692) has the molecular formula C11H27N3 and a molecular weight of 201.36 g/mol. Its IUPAC name is ethane;N'-(1-ethylpiperidin-4-yl)-N'-methylmethanediamine.

Molecular Properties

Compound Nameethane;N'-(1-ethylpiperidin-4-yl)-N'-methylmethanediamine
PubChem CID142615692
Molecular FormulaC11H27N3
Molecular Weight201.36 g/mol
Exact Mass201.22
IUPAC Nameethane;N'-(1-ethylpiperidin-4-yl)-N'-methylmethanediamine
SMILESCC.CCN1CCC(N(C)CN)CC1
InChIInChI=1S/C9H21N3.C2H6/c1-3-12-6-4-9(5-7-12)11(2)8-10;1-2/h9H,3-8,10H2,1-2H3;1-2H3
InChIKeyUPJHZNDVFQZVOH-UHFFFAOYSA-N
XLogP1.34
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylcyclobutanamine
CID 171641475
N'-(1-ethylpiperidin-4-yl)-N',2,2-trimethylbutane-1,4-diamine
CID 65246884
N-cyclobutyl-1-ethyl-N-methylpiperidin-4-amine;hydrofluoride
CID 178156932
N-cyclopentyl-1-ethyl-N-methylpiperidin-4-amine
CID 178157207
N-(2,2-dimethoxyethyl)-1-ethyl-N-methylpiperidin-4-amine
CID 66221902
N-[2-(bromomethyl)pentyl]-1-ethyl-N-methylpiperidin-4-amine
CID 65011364
5-[(1-ethylpiperidin-4-yl)-methylamino]pentanethioamide
CID 55004464
1-N-(1-ethylpiperidin-4-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 62845854
N'-methyl-N'-(1-methylpyrrolidin-3-yl)methanediamine
CID 115225658
ethane;N-(1-ethylpiperidin-4-yl)-N-methylmethanesulfonamide
CID 163266604
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 63887860
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 105347432

Frequently Asked Questions

What is the IUPAC name of ethane;N'-(1-ethylpiperidin-4-yl)-N'-methylmethanediamine?
The IUPAC name of ethane;N'-(1-ethylpiperidin-4-yl)-N'-methylmethanediamine (CID 142615692) is ethane;N'-(1-ethylpiperidin-4-yl)-N'-methylmethanediamine.
What is the SMILES notation for ethane;N'-(1-ethylpiperidin-4-yl)-N'-methylmethanediamine?
The canonical SMILES for ethane;N'-(1-ethylpiperidin-4-yl)-N'-methylmethanediamine is CC.CCN1CCC(N(C)CN)CC1.
What is the InChIKey of ethane;N'-(1-ethylpiperidin-4-yl)-N'-methylmethanediamine?
The InChIKey is UPJHZNDVFQZVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3.C2H6/c1-3-12-6-4-9(5-7-12)11(2)8-10;1-2/h9H,3-8,10H2,1-2H3;1-2H3.
What are the key properties of ethane;N'-(1-ethylpiperidin-4-yl)-N'-methylmethanediamine?
ethane;N'-(1-ethylpiperidin-4-yl)-N'-methylmethanediamine has a molecular weight of 201.36 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-(1-ethylpiperidin-4-yl)-N'-methylmethanediamine is sourced from PubChem (CID 142615692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).