N'-[[6-(aminomethyl)-2-pyridinyl]methyl]ethane-1,2-diamine

C9H16N4 — CID 59921847

IUPACN'-[[6-(aminomethyl)-2-pyridinyl]methyl]ethane-1,2-diamine
SMILESNCCNCc1cccc(CN)n1
InChIInChI=1S/C9H16N4/c10-4-5-12-7-9-3-1-2-8(6-11)13-9/h1-3,12H,4-7,10-11H2
InChIKeyZTVWUWNZVCFCRY-UHFFFAOYSA-N
MW180.25 g/mol
LogP-0.41
Rot. Bonds5

About N'-[[6-(aminomethyl)-2-pyridinyl]methyl]ethane-1,2-diamine

N'-[[6-(aminomethyl)-2-pyridinyl]methyl]ethane-1,2-diamine (PubChem CID 59921847) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is N'-[[6-(aminomethyl)-2-pyridinyl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[6-(aminomethyl)-2-pyridinyl]methyl]ethane-1,2-diamine
PubChem CID59921847
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC NameN'-[[6-(aminomethyl)-2-pyridinyl]methyl]ethane-1,2-diamine
SMILESNCCNCc1cccc(CN)n1
InChIInChI=1S/C9H16N4/c10-4-5-12-7-9-3-1-2-8(6-11)13-9/h1-3,12H,4-7,10-11H2
InChIKeyZTVWUWNZVCFCRY-UHFFFAOYSA-N
XLogP-0.41
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[[6-[(3-aminopropylamino)methyl]-2-pyridinyl]methyl]propane-1,3-diamine
CID 57064348
N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 14280569
N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine
CID 11501840
N'-[[6-[[2-[[(1R,2R)-2-methylcyclohexyl]amino]ethylamino]methyl]-2-pyridinyl]methyl]ethane-1,2-diamine
CID 59936363
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]ethanamine
CID 11566567
6-[(2-aminoethylamino)methyl]-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide
CID 10590275
N-[2-[[6-(aminomethyl)-2-pyridinyl]methylamino]ethyl]-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide
CID 10786714
N'-[[2-[(2-aminoethylamino)methyl]phenyl]methyl]ethane-1,2-diamine
CID 86255808
N-[[6-[(benzylamino)methyl]-2-pyridinyl]methyl]-1-phenylmethanamine
CID 11639693
2-[[3-[3-(3-aminopropylamino)propylamino]propylamino]methyl]quinolin-8-ol;pentahydrochloride
CID 66575698
(6-butyl-2-pyridinyl)methanamine
CID 67813294
N-(pyridin-2-ylmethyl)-1-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]methanamine
CID 564837

Frequently Asked Questions

What is the IUPAC name of N'-[[6-(aminomethyl)-2-pyridinyl]methyl]ethane-1,2-diamine?
The IUPAC name of N'-[[6-(aminomethyl)-2-pyridinyl]methyl]ethane-1,2-diamine (CID 59921847) is N'-[[6-(aminomethyl)-2-pyridinyl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[[6-(aminomethyl)-2-pyridinyl]methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[[6-(aminomethyl)-2-pyridinyl]methyl]ethane-1,2-diamine is NCCNCc1cccc(CN)n1.
What is the InChIKey of N'-[[6-(aminomethyl)-2-pyridinyl]methyl]ethane-1,2-diamine?
The InChIKey is ZTVWUWNZVCFCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c10-4-5-12-7-9-3-1-2-8(6-11)13-9/h1-3,12H,4-7,10-11H2.
What are the key properties of N'-[[6-(aminomethyl)-2-pyridinyl]methyl]ethane-1,2-diamine?
N'-[[6-(aminomethyl)-2-pyridinyl]methyl]ethane-1,2-diamine has a molecular weight of 180.25 g/mol, XLogP of -0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[6-(aminomethyl)-2-pyridinyl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 59921847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).