N,N,N'-trimethyl-N'-[6-[1-(methylamino)ethyl]-3-pyridinyl]ethane-1,2-diamine

C13H24N4 — CID 83127627

IUPACN,N,N'-trimethyl-N'-[6-[1-(methylamino)ethyl]-3-pyridinyl]ethane-1,2-diamine
SMILESCNC(C)c1ccc(N(C)CCN(C)C)cn1
InChIInChI=1S/C13H24N4/c1-11(14-2)13-7-6-12(10-15-13)17(5)9-8-16(3)4/h6-7,10-11,14H,8-9H2,1-5H3
InChIKeyHALJMKCQFDPMMB-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.36
Rot. Bonds6

About N,N,N'-trimethyl-N'-[6-[1-(methylamino)ethyl]-3-pyridinyl]ethane-1,2-diamine

N,N,N'-trimethyl-N'-[6-[1-(methylamino)ethyl]-3-pyridinyl]ethane-1,2-diamine (PubChem CID 83127627) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[6-[1-(methylamino)ethyl]-3-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[6-[1-(methylamino)ethyl]-3-pyridinyl]ethane-1,2-diamine
PubChem CID83127627
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN,N,N'-trimethyl-N'-[6-[1-(methylamino)ethyl]-3-pyridinyl]ethane-1,2-diamine
SMILESCNC(C)c1ccc(N(C)CCN(C)C)cn1
InChIInChI=1S/C13H24N4/c1-11(14-2)13-7-6-12(10-15-13)17(5)9-8-16(3)4/h6-7,10-11,14H,8-9H2,1-5H3
InChIKeyHALJMKCQFDPMMB-UHFFFAOYSA-N
XLogP1.36
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-6-[1-(methylamino)ethyl]-N-(2-methylsulfanylethyl)pyridin-3-amine
CID 112660503
2-methyl-1-[methyl-[6-[1-(methylamino)ethyl]-3-pyridinyl]amino]propan-2-ol
CID 83127397
N-(2-methoxyethyl)-6-[1-(methylamino)ethyl]-N-propan-2-ylpyridin-3-amine
CID 83128056
N-methyl-6-[1-(methylamino)ethyl]-N-[(3-methylphenyl)methyl]pyridin-3-amine
CID 83122660
N-methyl-6-[1-(methylamino)ethyl]-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
CID 83122521
N-[(2-fluorophenyl)methyl]-N-methyl-6-[1-(methylamino)ethyl]pyridin-3-amine
CID 83121997
N-methyl-6-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine
CID 112660607
N-(2-methoxyethyl)-6-[1-(methylamino)ethyl]-N-pentan-3-ylpyridin-3-amine
CID 83122101
N-(4-methoxyphenyl)-N-methyl-6-[1-(methylamino)ethyl]pyridin-3-amine
CID 83121943
N-(2-ethoxyethyl)-6-[1-(ethylamino)ethyl]-N-methylpyridin-3-amine
CID 83127164
6-[1-(ethylamino)ethyl]-N-methyl-N-(2-propan-2-yloxyethyl)pyridin-3-amine
CID 83127484
2-[methyl-[6-[1-(methylamino)propyl]-3-pyridinyl]amino]ethanol
CID 112584231

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[6-[1-(methylamino)ethyl]-3-pyridinyl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[6-[1-(methylamino)ethyl]-3-pyridinyl]ethane-1,2-diamine (CID 83127627) is N,N,N'-trimethyl-N'-[6-[1-(methylamino)ethyl]-3-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[6-[1-(methylamino)ethyl]-3-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[6-[1-(methylamino)ethyl]-3-pyridinyl]ethane-1,2-diamine is CNC(C)c1ccc(N(C)CCN(C)C)cn1.
What is the InChIKey of N,N,N'-trimethyl-N'-[6-[1-(methylamino)ethyl]-3-pyridinyl]ethane-1,2-diamine?
The InChIKey is HALJMKCQFDPMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-11(14-2)13-7-6-12(10-15-13)17(5)9-8-16(3)4/h6-7,10-11,14H,8-9H2,1-5H3.
What are the key properties of N,N,N'-trimethyl-N'-[6-[1-(methylamino)ethyl]-3-pyridinyl]ethane-1,2-diamine?
N,N,N'-trimethyl-N'-[6-[1-(methylamino)ethyl]-3-pyridinyl]ethane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[6-[1-(methylamino)ethyl]-3-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 83127627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).