ethane;N,N,N'-trimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine

C13H31N3 — CID 144721860

IUPACethane;N,N,N'-trimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
SMILESCC.CN(C)CCN(C)C1CCN(C)CC1
InChIInChI=1S/C11H25N3.C2H6/c1-12(2)9-10-14(4)11-5-7-13(3)8-6-11;1-2/h11H,5-10H2,1-4H3;1-2H3
InChIKeyWLSBRESLPHFTEW-UHFFFAOYSA-N
MW229.41 g/mol
LogP1.60
Rot. Bonds4

About ethane;N,N,N'-trimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine

ethane;N,N,N'-trimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine (PubChem CID 144721860) has the molecular formula C13H31N3 and a molecular weight of 229.41 g/mol. Its IUPAC name is ethane;N,N,N'-trimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound Nameethane;N,N,N'-trimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
PubChem CID144721860
Molecular FormulaC13H31N3
Molecular Weight229.41 g/mol
Exact Mass229.25
IUPAC Nameethane;N,N,N'-trimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
SMILESCC.CN(C)CCN(C)C1CCN(C)CC1
InChIInChI=1S/C11H25N3.C2H6/c1-12(2)9-10-14(4)11-5-7-13(3)8-6-11;1-2/h11H,5-10H2,1-4H3;1-2H3
InChIKeyWLSBRESLPHFTEW-UHFFFAOYSA-N
XLogP1.60
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,N'-trimethyl-N'-[(3S)-1-methylpyrrolidin-3-yl]propane-1,3-diamine
CID 118516090
N-[2-(azetidin-3-yl)ethyl]-N,1-dimethylpiperidin-4-amine
CID 116679267
N-(3-methoxypropyl)-N,1-dimethylpiperidin-4-amine
CID 166948035
N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)formamide
CID 64992864
N,1-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine
CID 59369351
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]cyclopropanamine
CID 138723132
N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine;ethane
CID 144962995
3-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-3-oxopropanoic acid
CID 62232103
5-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]amino]-5-oxopentanoic acid
CID 60950966
N-hexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 62574097
2-bromo-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide
CID 114014439
3-amino-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide
CID 54873923

Frequently Asked Questions

What is the IUPAC name of ethane;N,N,N'-trimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
The IUPAC name of ethane;N,N,N'-trimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine (CID 144721860) is ethane;N,N,N'-trimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for ethane;N,N,N'-trimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for ethane;N,N,N'-trimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine is CC.CN(C)CCN(C)C1CCN(C)CC1.
What is the InChIKey of ethane;N,N,N'-trimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
The InChIKey is WLSBRESLPHFTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3.C2H6/c1-12(2)9-10-14(4)11-5-7-13(3)8-6-11;1-2/h11H,5-10H2,1-4H3;1-2H3.
What are the key properties of ethane;N,N,N'-trimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
ethane;N,N,N'-trimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine has a molecular weight of 229.41 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,N,N'-trimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 144721860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).