N'-(3-fluoro-2-pyridinyl)pentane-1,5-diamine

C10H16FN3 — CID 107323423

IUPACN'-(3-fluoro-2-pyridinyl)pentane-1,5-diamine
SMILESNCCCCCNc1ncccc1F
InChIInChI=1S/C10H16FN3/c11-9-5-4-8-14-10(9)13-7-3-1-2-6-12/h4-5,8H,1-3,6-7,12H2,(H,13,14)
InChIKeyXGMWQZTZTPAYIP-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.76
Rot. Bonds6

About N'-(3-fluoro-2-pyridinyl)pentane-1,5-diamine

N'-(3-fluoro-2-pyridinyl)pentane-1,5-diamine (PubChem CID 107323423) has the molecular formula C10H16FN3 and a molecular weight of 197.26 g/mol. Its IUPAC name is N'-(3-fluoro-2-pyridinyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-(3-fluoro-2-pyridinyl)pentane-1,5-diamine
PubChem CID107323423
Molecular FormulaC10H16FN3
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC NameN'-(3-fluoro-2-pyridinyl)pentane-1,5-diamine
SMILESNCCCCCNc1ncccc1F
InChIInChI=1S/C10H16FN3/c11-9-5-4-8-14-10(9)13-7-3-1-2-6-12/h4-5,8H,1-3,6-7,12H2,(H,13,14)
InChIKeyXGMWQZTZTPAYIP-UHFFFAOYSA-N
XLogP1.76
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.76
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'-(3-bromo-2-pyridinyl)hexane-1,6-diamine
CID 107845203
N'-(3-methyl-2-pyridinyl)hexane-1,6-diamine
CID 107844649
N'-(3-methoxy-2-pyridinyl)hexane-1,6-diamine
CID 107844863
methyl 6-[(3-fluoro-2-pyridinyl)amino]hexanoate
CID 62734562
2-(4-aminobutylamino)pyridine-3-carboxamide
CID 54122437
N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]-3-fluoropyridin-2-amine
CID 97324812
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-fluoropyridin-2-amine
CID 115456994
3-[(3-fluoro-2-pyridinyl)amino]-N-methylpropanamide
CID 62732862
[4-[[(3-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107232296
N'-phenylheptane-1,7-diamine
CID 61149618
(3-fluoro-2-pyridinyl)hydrazine;hydrochloride
CID 137345944
3-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-amine
CID 62734731

Frequently Asked Questions

What is the IUPAC name of N'-(3-fluoro-2-pyridinyl)pentane-1,5-diamine?
The IUPAC name of N'-(3-fluoro-2-pyridinyl)pentane-1,5-diamine (CID 107323423) is N'-(3-fluoro-2-pyridinyl)pentane-1,5-diamine.
What is the SMILES notation for N'-(3-fluoro-2-pyridinyl)pentane-1,5-diamine?
The canonical SMILES for N'-(3-fluoro-2-pyridinyl)pentane-1,5-diamine is NCCCCCNc1ncccc1F.
What is the InChIKey of N'-(3-fluoro-2-pyridinyl)pentane-1,5-diamine?
The InChIKey is XGMWQZTZTPAYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3/c11-9-5-4-8-14-10(9)13-7-3-1-2-6-12/h4-5,8H,1-3,6-7,12H2,(H,13,14).
What are the key properties of N'-(3-fluoro-2-pyridinyl)pentane-1,5-diamine?
N'-(3-fluoro-2-pyridinyl)pentane-1,5-diamine has a molecular weight of 197.26 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluoro-2-pyridinyl)pentane-1,5-diamine is sourced from PubChem (CID 107323423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).