N'-[5-(2-aminoethyl)-3-methyl-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine

C13H24N4 — CID 80634571

IUPACN'-[5-(2-aminoethyl)-3-methyl-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCc1cc(CCN)cnc1N(C)CCN(C)C
InChIInChI=1S/C13H24N4/c1-11-9-12(5-6-14)10-15-13(11)17(4)8-7-16(2)3/h9-10H,5-8,14H2,1-4H3
InChIKeyDDPFGQIRZVWLOR-UHFFFAOYSA-N
MW236.36 g/mol
LogP0.89
Rot. Bonds6

About N'-[5-(2-aminoethyl)-3-methyl-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine

N'-[5-(2-aminoethyl)-3-methyl-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 80634571) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-[5-(2-aminoethyl)-3-methyl-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5-(2-aminoethyl)-3-methyl-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID80634571
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN'-[5-(2-aminoethyl)-3-methyl-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCc1cc(CCN)cnc1N(C)CCN(C)C
InChIInChI=1S/C13H24N4/c1-11-9-12(5-6-14)10-15-13(11)17(4)8-7-16(2)3/h9-10H,5-8,14H2,1-4H3
InChIKeyDDPFGQIRZVWLOR-UHFFFAOYSA-N
XLogP0.89
TPSA45.39 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 ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[5-(2-aminoethyl)-3-methyl-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[5-(2-aminoethyl)-3-methyl-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine (CID 80634571) is N'-[5-(2-aminoethyl)-3-methyl-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[5-(2-aminoethyl)-3-methyl-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[5-(2-aminoethyl)-3-methyl-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine is Cc1cc(CCN)cnc1N(C)CCN(C)C.
What is the InChIKey of N'-[5-(2-aminoethyl)-3-methyl-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is DDPFGQIRZVWLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-11-9-12(5-6-14)10-15-13(11)17(4)8-7-16(2)3/h9-10H,5-8,14H2,1-4H3.
What are the key properties of N'-[5-(2-aminoethyl)-3-methyl-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[5-(2-aminoethyl)-3-methyl-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(2-aminoethyl)-3-methyl-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 80634571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).