N'-[2-(aminomethyl)-4-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine

C12H22N4 — CID 63695632

IUPACN'-[2-(aminomethyl)-4-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)c1ccnc(CN)c1
InChIInChI=1S/C12H22N4/c1-15(2)7-4-8-16(3)12-5-6-14-11(9-12)10-13/h5-6,9H,4,7-8,10,13H2,1-3H3
InChIKeyDDRPAWUGOZHHGI-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.93
Rot. Bonds6

About N'-[2-(aminomethyl)-4-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[2-(aminomethyl)-4-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 63695632) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N'-[2-(aminomethyl)-4-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(aminomethyl)-4-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID63695632
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN'-[2-(aminomethyl)-4-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)c1ccnc(CN)c1
InChIInChI=1S/C12H22N4/c1-15(2)7-4-8-16(3)12-5-6-14-11(9-12)10-13/h5-6,9H,4,7-8,10,13H2,1-3H3
InChIKeyDDRPAWUGOZHHGI-UHFFFAOYSA-N
XLogP0.93
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(aminomethyl)-4-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[2-(aminomethyl)-4-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine (CID 63695632) is N'-[2-(aminomethyl)-4-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(aminomethyl)-4-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(aminomethyl)-4-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine is CN(C)CCCN(C)c1ccnc(CN)c1.
What is the InChIKey of N'-[2-(aminomethyl)-4-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is DDRPAWUGOZHHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-15(2)7-4-8-16(3)12-5-6-14-11(9-12)10-13/h5-6,9H,4,7-8,10,13H2,1-3H3.
What are the key properties of N'-[2-(aminomethyl)-4-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[2-(aminomethyl)-4-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 222.34 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(aminomethyl)-4-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 63695632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).