N,N'-bis(pyridin-4-ylmethyl)pentane-1,5-diamine

C17H24N4 — CID 101163000

IUPACN,N'-bis(pyridin-4-ylmethyl)pentane-1,5-diamine
SMILESc1cc(CNCCCCCNCc2ccncc2)ccn1
InChIInChI=1S/C17H24N4/c1(2-8-20-14-16-4-10-18-11-5-16)3-9-21-15-17-6-12-19-13-7-17/h4-7,10-13,20-21H,1-3,8-9,14-15H2
InChIKeyKXMBQZIKGSANOF-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.53
Rot. Bonds10

About N,N'-bis(pyridin-4-ylmethyl)pentane-1,5-diamine

N,N'-bis(pyridin-4-ylmethyl)pentane-1,5-diamine (PubChem CID 101163000) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N,N'-bis(pyridin-4-ylmethyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN,N'-bis(pyridin-4-ylmethyl)pentane-1,5-diamine
PubChem CID101163000
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN,N'-bis(pyridin-4-ylmethyl)pentane-1,5-diamine
SMILESc1cc(CNCCCCCNCc2ccncc2)ccn1
InChIInChI=1S/C17H24N4/c1(2-8-20-14-16-4-10-18-11-5-16)3-9-21-15-17-6-12-19-13-7-17/h4-7,10-13,20-21H,1-3,8-9,14-15H2
InChIKeyKXMBQZIKGSANOF-UHFFFAOYSA-N
XLogP2.53
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.53
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'-(pyridin-4-ylmethyl)hexane-1,6-diamine
CID 83959522
8-(pyridin-4-ylmethylamino)octanoic acid
CID 102039807
5-(pyridin-4-ylmethylamino)pentanamide
CID 106233961
3-(2-methoxyethoxy)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 28720665
3-propan-2-yloxy-N-(pyridin-4-ylmethyl)propan-1-amine;hydrochloride
CID 17206477
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine
CID 15943325
N,N'-dibenzylhexane-1,6-diamine;dihydrobromide
CID 131880779
3-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 82097706
N-[(4-ethylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 54943545
ethane;3-methyl-N-(pyridin-4-ylmethyl)butan-1-amine
CID 156850242
4-[[6-[(4-hydroxyphenyl)methylamino]hexylamino]methyl]phenol
CID 22756076
N,N'-bis[5-(benzylamino)pentyl]hexane-1,6-diamine;tetrahydrochloride
CID 72715173

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(pyridin-4-ylmethyl)pentane-1,5-diamine?
The IUPAC name of N,N'-bis(pyridin-4-ylmethyl)pentane-1,5-diamine (CID 101163000) is N,N'-bis(pyridin-4-ylmethyl)pentane-1,5-diamine.
What is the SMILES notation for N,N'-bis(pyridin-4-ylmethyl)pentane-1,5-diamine?
The canonical SMILES for N,N'-bis(pyridin-4-ylmethyl)pentane-1,5-diamine is c1cc(CNCCCCCNCc2ccncc2)ccn1.
What is the InChIKey of N,N'-bis(pyridin-4-ylmethyl)pentane-1,5-diamine?
The InChIKey is KXMBQZIKGSANOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1(2-8-20-14-16-4-10-18-11-5-16)3-9-21-15-17-6-12-19-13-7-17/h4-7,10-13,20-21H,1-3,8-9,14-15H2.
What are the key properties of N,N'-bis(pyridin-4-ylmethyl)pentane-1,5-diamine?
N,N'-bis(pyridin-4-ylmethyl)pentane-1,5-diamine has a molecular weight of 284.41 g/mol, XLogP of 2.53, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(pyridin-4-ylmethyl)pentane-1,5-diamine is sourced from PubChem (CID 101163000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).