N'-(pyridin-4-ylmethyl)hexane-1,6-diamine

C12H21N3 — CID 83959522

IUPACN'-(pyridin-4-ylmethyl)hexane-1,6-diamine
SMILESNCCCCCCNCc1ccncc1
InChIInChI=1S/C12H21N3/c13-7-3-1-2-4-8-15-11-12-5-9-14-10-6-12/h5-6,9-10,15H,1-4,7-8,11,13H2
InChIKeyQMAFBBNBUGMFHF-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.69
Rot. Bonds8

About N'-(pyridin-4-ylmethyl)hexane-1,6-diamine

N'-(pyridin-4-ylmethyl)hexane-1,6-diamine (PubChem CID 83959522) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N'-(pyridin-4-ylmethyl)hexane-1,6-diamine.

Molecular Properties

Compound NameN'-(pyridin-4-ylmethyl)hexane-1,6-diamine
PubChem CID83959522
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN'-(pyridin-4-ylmethyl)hexane-1,6-diamine
SMILESNCCCCCCNCc1ccncc1
InChIInChI=1S/C12H21N3/c13-7-3-1-2-4-8-15-11-12-5-9-14-10-6-12/h5-6,9-10,15H,1-4,7-8,11,13H2
InChIKeyQMAFBBNBUGMFHF-UHFFFAOYSA-N
XLogP1.69
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(pyridin-4-ylmethyl)pentane-1,5-diamine
CID 101163000
N'-benzylheptane-1,7-diamine
CID 61150072
N'-benzyldodecane-1,12-diamine
CID 10589617
N'-[[4-[(3-aminopropylamino)methyl]phenyl]methyl]propane-1,3-diamine
CID 10106170
5-(pyridin-4-ylmethylamino)pentanamide
CID 106233961
8-(pyridin-4-ylmethylamino)octanoic acid
CID 102039807
N'-[[4-(5-aminopentyl)phenyl]methyl]propane-1,3-diamine
CID 58260406
N'-[(4-fluorophenyl)methyl]butane-1,4-diamine
CID 11140144
N-(2-aminoethyl)-N'-[2-(benzylamino)ethyl]octane-1,8-diamine
CID 67649302
[4-[(4-aminobutylamino)methyl]phenyl]boronic acid;hydrochloride
CID 73355711
N'-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]pentane-1,5-diamine
CID 169043206
N'-(naphthalen-2-ylmethyl)pentane-1,5-diamine
CID 59231415

Frequently Asked Questions

What is the IUPAC name of N'-(pyridin-4-ylmethyl)hexane-1,6-diamine?
The IUPAC name of N'-(pyridin-4-ylmethyl)hexane-1,6-diamine (CID 83959522) is N'-(pyridin-4-ylmethyl)hexane-1,6-diamine.
What is the SMILES notation for N'-(pyridin-4-ylmethyl)hexane-1,6-diamine?
The canonical SMILES for N'-(pyridin-4-ylmethyl)hexane-1,6-diamine is NCCCCCCNCc1ccncc1.
What is the InChIKey of N'-(pyridin-4-ylmethyl)hexane-1,6-diamine?
The InChIKey is QMAFBBNBUGMFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c13-7-3-1-2-4-8-15-11-12-5-9-14-10-6-12/h5-6,9-10,15H,1-4,7-8,11,13H2.
What are the key properties of N'-(pyridin-4-ylmethyl)hexane-1,6-diamine?
N'-(pyridin-4-ylmethyl)hexane-1,6-diamine has a molecular weight of 207.32 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(pyridin-4-ylmethyl)hexane-1,6-diamine is sourced from PubChem (CID 83959522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).