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

C12H22N4 — CID 78426250

IUPACN-[[4-(aminomethyl)-2-pyridinyl]methyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNCc1cc(CN)ccn1
InChIInChI=1S/C12H22N4/c1-16(2)7-3-5-14-10-12-8-11(9-13)4-6-15-12/h4,6,8,14H,3,5,7,9-10,13H2,1-2H3
InChIKeyJKBRKNGQQBSJFS-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.58
Rot. Bonds7

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

N-[[4-(aminomethyl)-2-pyridinyl]methyl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 78426250) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-2-pyridinyl]methyl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-2-pyridinyl]methyl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID78426250
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-[[4-(aminomethyl)-2-pyridinyl]methyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNCc1cc(CN)ccn1
InChIInChI=1S/C12H22N4/c1-16(2)7-3-5-14-10-12-8-11(9-13)4-6-15-12/h4,6,8,14H,3,5,7,9-10,13H2,1-2H3
InChIKeyJKBRKNGQQBSJFS-UHFFFAOYSA-N
XLogP0.58
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 82672398
N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
CID 17294130
N-[(3,5-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 60788789
N-[(2-chloro-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 115614135
N'-[2-(aminomethyl)-4-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695632
2-[[4-(aminomethyl)-2-pyridinyl]-methylamino]ethanol
CID 60960372
(2-ethyl-4-pyridinyl)methanamine;hydrochloride
CID 138109972
N',N'-dimethyl-N-[[9-(2-phenylethyl)pyrido[3,4-b]indol-3-yl]methyl]propane-1,3-diamine
CID 56640269
N'-ethyl-N,N-dimethyl-N'-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,3-diamine
CID 102997784
N'-[4-(aminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55006973
N-[(3-fluoro-4-methylphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 63646355
N',N'-dimethyl-N-[(2-methylquinolin-6-yl)methyl]propane-1,3-diamine
CID 105378209

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-2-pyridinyl]methyl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[[4-(aminomethyl)-2-pyridinyl]methyl]-N',N'-dimethylpropane-1,3-diamine (CID 78426250) is N-[[4-(aminomethyl)-2-pyridinyl]methyl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[[4-(aminomethyl)-2-pyridinyl]methyl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[[4-(aminomethyl)-2-pyridinyl]methyl]-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNCc1cc(CN)ccn1.
What is the InChIKey of N-[[4-(aminomethyl)-2-pyridinyl]methyl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is JKBRKNGQQBSJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-16(2)7-3-5-14-10-12-8-11(9-13)4-6-15-12/h4,6,8,14H,3,5,7,9-10,13H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)-2-pyridinyl]methyl]-N',N'-dimethylpropane-1,3-diamine?
N-[[4-(aminomethyl)-2-pyridinyl]methyl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 222.34 g/mol, XLogP of 0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-2-pyridinyl]methyl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 78426250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).