N'-[4-(aminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

C14H26N4 — CID 55006973

IUPACN'-[4-(aminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN(C)C)c1cc(CN)ccn1
InChIInChI=1S/C14H26N4/c1-12(2)11-18(8-7-17(3)4)14-9-13(10-15)5-6-16-14/h5-6,9,12H,7-8,10-11,15H2,1-4H3
InChIKeyHMWZKTQVGURPHW-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.56
Rot. Bonds7

About N'-[4-(aminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

N'-[4-(aminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 55006973) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-[4-(aminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-(aminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID55006973
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN'-[4-(aminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN(C)C)c1cc(CN)ccn1
InChIInChI=1S/C14H26N4/c1-12(2)11-18(8-7-17(3)4)14-9-13(10-15)5-6-16-14/h5-6,9,12H,7-8,10-11,15H2,1-4H3
InChIKeyHMWZKTQVGURPHW-UHFFFAOYSA-N
XLogP1.56
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carbothioamide
CID 55009052
N'-[4-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 114925738
[6-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-pyridinyl]methanol
CID 55008988
N'-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 114870363
N'-(2-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 80900495
4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-2-carbothioamide
CID 62925226
2-[[4-(aminomethyl)-2-pyridinyl]-methylamino]ethanol
CID 60960372
4-(ethylaminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 55059734
4-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 54948605
4-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]pyridine-2-carbothioamide
CID 63882102
2-[[4-(aminomethyl)-2-pyridinyl]-propylamino]-N,N-dimethylacetamide
CID 54984980
4-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 82948148

Frequently Asked Questions

What is the IUPAC name of N'-[4-(aminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-[4-(aminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (CID 55006973) is N'-[4-(aminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[4-(aminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-[4-(aminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is CC(C)CN(CCN(C)C)c1cc(CN)ccn1.
What is the InChIKey of N'-[4-(aminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is HMWZKTQVGURPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-12(2)11-18(8-7-17(3)4)14-9-13(10-15)5-6-16-14/h5-6,9,12H,7-8,10-11,15H2,1-4H3.
What are the key properties of N'-[4-(aminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
N'-[4-(aminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(aminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 55006973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).