1-N-methyl-1-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylpropane-1,2-diamine

C14H25N3S — CID 55022144

IUPAC1-N-methyl-1-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylpropane-1,2-diamine
SMILESCC(N)C(c1cccs1)N(C)C1CCN(C)CC1
InChIInChI=1S/C14H25N3S/c1-11(15)14(13-5-4-10-18-13)17(3)12-6-8-16(2)9-7-12/h4-5,10-12,14H,6-9,15H2,1-3H3
InChIKeyKFJOKNAFJOEJBI-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.16
Rot. Bonds4

About 1-N-methyl-1-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylpropane-1,2-diamine

1-N-methyl-1-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylpropane-1,2-diamine (PubChem CID 55022144) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-N-methyl-1-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylpropane-1,2-diamine
PubChem CID55022144
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name1-N-methyl-1-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylpropane-1,2-diamine
SMILESCC(N)C(c1cccs1)N(C)C1CCN(C)CC1
InChIInChI=1S/C14H25N3S/c1-11(15)14(13-5-4-10-18-13)17(3)12-6-8-16(2)9-7-12/h4-5,10-12,14H,6-9,15H2,1-3H3
InChIKeyKFJOKNAFJOEJBI-UHFFFAOYSA-N
XLogP2.16
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-methyl-1-N-(1-methylpiperidin-3-yl)-1-thiophen-2-ylpropane-1,2-diamine
CID 62547450
N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine
CID 113279452
N'-methyl-N'-(1-methylpiperidin-3-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 115287822
1-N-(3,3-dimethylbutan-2-yl)-1-N-methyl-1-thiophen-2-ylpropane-1,2-diamine
CID 55021630
1-N-(cyclopropylmethyl)-1-N-propyl-1-thiophen-2-ylpropane-1,2-diamine
CID 55021714
1-(2-amino-2-thiophen-2-ylethyl)-N,N-dimethylpiperidin-4-amine
CID 113279390
1-N-methyl-1-N-(oxan-2-ylmethyl)-1-thiophen-2-ylpropane-1,2-diamine
CID 55021814
1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-thiophen-2-ylpropan-2-amine
CID 62886596
1-N-methyl-1-N-(1-thiophen-2-ylethyl)cyclohexane-1,3-diamine
CID 79469682
3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-amine
CID 82021708
N,N-dimethyl-N'-(1-methylazepan-4-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 65071295
tert-butyl 4-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]piperidine-1-carboxylate
CID 97175331

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylpropane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylpropane-1,2-diamine (CID 55022144) is 1-N-methyl-1-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylpropane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylpropane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylpropane-1,2-diamine is CC(N)C(c1cccs1)N(C)C1CCN(C)CC1.
What is the InChIKey of 1-N-methyl-1-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylpropane-1,2-diamine?
The InChIKey is KFJOKNAFJOEJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-11(15)14(13-5-4-10-18-13)17(3)12-6-8-16(2)9-7-12/h4-5,10-12,14H,6-9,15H2,1-3H3.
What are the key properties of 1-N-methyl-1-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylpropane-1,2-diamine?
1-N-methyl-1-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylpropane-1,2-diamine has a molecular weight of 267.44 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylpropane-1,2-diamine is sourced from PubChem (CID 55022144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).