N,N'-dipyridin-2-ylnonane-1,9-diamine

C19H28N4 — CID 86213861

IUPACN,N'-dipyridin-2-ylnonane-1,9-diamine
SMILESc1ccc(NCCCCCCCCCNc2ccccn2)nc1
InChIInChI=1S/C19H28N4/c1(2-4-8-14-20-18-12-6-10-16-22-18)3-5-9-15-21-19-13-7-11-17-23-19/h6-7,10-13,16-17H,1-5,8-9,14-15H2,(H,20,22)(H,21,23)
InChIKeyONGUYMPPXWZUQO-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.73
Rot. Bonds12

About N,N'-dipyridin-2-ylnonane-1,9-diamine

N,N'-dipyridin-2-ylnonane-1,9-diamine (PubChem CID 86213861) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is N,N'-dipyridin-2-ylnonane-1,9-diamine.

Molecular Properties

Compound NameN,N'-dipyridin-2-ylnonane-1,9-diamine
PubChem CID86213861
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC NameN,N'-dipyridin-2-ylnonane-1,9-diamine
SMILESc1ccc(NCCCCCCCCCNc2ccccn2)nc1
InChIInChI=1S/C19H28N4/c1(2-4-8-14-20-18-12-6-10-16-22-18)3-5-9-15-21-19-13-7-11-17-23-19/h6-7,10-13,16-17H,1-5,8-9,14-15H2,(H,20,22)(H,21,23)
InChIKeyONGUYMPPXWZUQO-UHFFFAOYSA-N
XLogP4.73
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.73
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-(5-chloropentyl)pyridin-2-amine
CID 107320546
N-(4-chlorobutyl)pyridin-2-amine
CID 106845032
N-(3-chloropropyl)pyridin-2-amine
CID 22118637
N-butylpyridin-2-amine
CID 14322668
N-(4-methylsulfanylbutyl)pyridin-2-amine
CID 115637469
N-pent-4-ynylpyridin-2-amine
CID 103704473
5-(pyridin-2-ylamino)pentanoic acid
CID 18518151
N-ethyl-N'-pyridin-2-ylpropane-1,3-diamine
CID 61020117
N-(2-fluoroethyl)pyridin-2-amine
CID 23204810
N-[(2-fluorophenyl)methyl]-N'-pyridin-2-ylhexane-1,6-diamine
CID 4288141
N-(3-butoxypropyl)pyridin-2-amine
CID 115569614
1-phenyl-3-[4-(pyridin-2-ylamino)butyl]urea
CID 51108284

Frequently Asked Questions

What is the IUPAC name of N,N'-dipyridin-2-ylnonane-1,9-diamine?
The IUPAC name of N,N'-dipyridin-2-ylnonane-1,9-diamine (CID 86213861) is N,N'-dipyridin-2-ylnonane-1,9-diamine.
What is the SMILES notation for N,N'-dipyridin-2-ylnonane-1,9-diamine?
The canonical SMILES for N,N'-dipyridin-2-ylnonane-1,9-diamine is c1ccc(NCCCCCCCCCNc2ccccn2)nc1.
What is the InChIKey of N,N'-dipyridin-2-ylnonane-1,9-diamine?
The InChIKey is ONGUYMPPXWZUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1(2-4-8-14-20-18-12-6-10-16-22-18)3-5-9-15-21-19-13-7-11-17-23-19/h6-7,10-13,16-17H,1-5,8-9,14-15H2,(H,20,22)(H,21,23).
What are the key properties of N,N'-dipyridin-2-ylnonane-1,9-diamine?
N,N'-dipyridin-2-ylnonane-1,9-diamine has a molecular weight of 312.46 g/mol, XLogP of 4.73, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dipyridin-2-ylnonane-1,9-diamine is sourced from PubChem (CID 86213861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).