1-N-methyl-1-N-(1-methylpiperidin-3-yl)-1-pyridin-3-ylbutane-1,2-diamine

C16H28N4 — CID 62546038

IUPAC1-N-methyl-1-N-(1-methylpiperidin-3-yl)-1-pyridin-3-ylbutane-1,2-diamine
SMILESCCC(N)C(c1cccnc1)N(C)C1CCCN(C)C1
InChIInChI=1S/C16H28N4/c1-4-15(17)16(13-7-5-9-18-11-13)20(3)14-8-6-10-19(2)12-14/h5,7,9,11,14-16H,4,6,8,10,12,17H2,1-3H3
InChIKeyDCAPJWWMJYQXOP-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.89
Rot. Bonds5

About 1-N-methyl-1-N-(1-methylpiperidin-3-yl)-1-pyridin-3-ylbutane-1,2-diamine

1-N-methyl-1-N-(1-methylpiperidin-3-yl)-1-pyridin-3-ylbutane-1,2-diamine (PubChem CID 62546038) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 1-N-methyl-1-N-(1-methylpiperidin-3-yl)-1-pyridin-3-ylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(1-methylpiperidin-3-yl)-1-pyridin-3-ylbutane-1,2-diamine
PubChem CID62546038
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name1-N-methyl-1-N-(1-methylpiperidin-3-yl)-1-pyridin-3-ylbutane-1,2-diamine
SMILESCCC(N)C(c1cccnc1)N(C)C1CCCN(C)C1
InChIInChI=1S/C16H28N4/c1-4-15(17)16(13-7-5-9-18-11-13)20(3)14-8-6-10-19(2)12-14/h5,7,9,11,14-16H,4,6,8,10,12,17H2,1-3H3
InChIKeyDCAPJWWMJYQXOP-UHFFFAOYSA-N
XLogP1.89
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)butane-1,2-diamine
CID 62546916
1-(2-fluorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)butane-1,2-diamine
CID 62545323
1-N-methyl-1-N-(oxolan-3-yl)-1-pyridin-3-ylbutane-1,2-diamine
CID 82731850
2-N-methyl-2-N-(1-methylpiperidin-3-yl)-1-phenylbutane-1,2-diamine
CID 62546230
1-(4-bromothiophen-2-yl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)butane-1,2-diamine
CID 62546211
N-methyl-N-(1-methylpiperidin-3-yl)-1-phenylethane-1,2-diamine
CID 62546739
1-(3-chlorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)propane-1,2-diamine
CID 62547087
1-[(2-amino-1-pyridin-3-ylbutyl)-methylamino]propan-2-ol
CID 55061112
1-(4-methylazepan-1-yl)-1-pyridin-3-ylbutan-2-amine
CID 63622936
1-N-methyl-1-N-(1-methylpiperidin-3-yl)-1-thiophen-2-ylpropane-1,2-diamine
CID 62547450
1-N-methyl-1-N-(2-phenylethyl)-1-pyridin-3-ylbutane-1,2-diamine
CID 65483700
N,N'-dimethyl-N-(1-methylpiperidin-3-yl)-1-phenylethane-1,2-diamine
CID 55084951

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(1-methylpiperidin-3-yl)-1-pyridin-3-ylbutane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-(1-methylpiperidin-3-yl)-1-pyridin-3-ylbutane-1,2-diamine (CID 62546038) is 1-N-methyl-1-N-(1-methylpiperidin-3-yl)-1-pyridin-3-ylbutane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(1-methylpiperidin-3-yl)-1-pyridin-3-ylbutane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-(1-methylpiperidin-3-yl)-1-pyridin-3-ylbutane-1,2-diamine is CCC(N)C(c1cccnc1)N(C)C1CCCN(C)C1.
What is the InChIKey of 1-N-methyl-1-N-(1-methylpiperidin-3-yl)-1-pyridin-3-ylbutane-1,2-diamine?
The InChIKey is DCAPJWWMJYQXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-15(17)16(13-7-5-9-18-11-13)20(3)14-8-6-10-19(2)12-14/h5,7,9,11,14-16H,4,6,8,10,12,17H2,1-3H3.
What are the key properties of 1-N-methyl-1-N-(1-methylpiperidin-3-yl)-1-pyridin-3-ylbutane-1,2-diamine?
1-N-methyl-1-N-(1-methylpiperidin-3-yl)-1-pyridin-3-ylbutane-1,2-diamine has a molecular weight of 276.43 g/mol, XLogP of 1.89, 5 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-3-yl)-1-pyridin-3-ylbutane-1,2-diamine is sourced from PubChem (CID 62546038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).