N-(6-fluoro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine

C10H16FN3 — CID 61228791

IUPACN-(6-fluoro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1cccc(F)n1
InChIInChI=1S/C10H16FN3/c1-14(2)8-4-7-12-10-6-3-5-9(11)13-10/h3,5-6H,4,7-8H2,1-2H3,(H,12,13)
InChIKeyTWTVUHDSZYEUOU-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.58
Rot. Bonds5

About N-(6-fluoro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine

N-(6-fluoro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 61228791) has the molecular formula C10H16FN3 and a molecular weight of 197.26 g/mol. Its IUPAC name is N-(6-fluoro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(6-fluoro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID61228791
Molecular FormulaC10H16FN3
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC NameN-(6-fluoro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1cccc(F)n1
InChIInChI=1S/C10H16FN3/c1-14(2)8-4-7-12-10-6-3-5-9(11)13-10/h3,5-6H,4,7-8H2,1-2H3,(H,12,13)
InChIKeyTWTVUHDSZYEUOU-UHFFFAOYSA-N
XLogP1.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 61229371
N',N'-dimethyl-N-(6-methyl-2-pyridinyl)propane-1,3-diamine
CID 60876998
6-N-[3-(dimethylamino)propyl]-2-N-methylpyridine-2,6-diamine
CID 80778351
N-(3-ethylsulfanylpropyl)-6-fluoropyridin-2-amine
CID 116812922
N-(6-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62849223
6-fluoro-N-pent-3-ynylpyridin-2-amine
CID 106196296
5-[(6-fluoro-2-pyridinyl)amino]pentanamide
CID 106239975
N-(3,3-difluoropropyl)-6-fluoropyridin-2-amine
CID 130610509
6-N-[3-(dimethylamino)propyl]-6-N-ethyl-2-N-propylpyridine-2,6-diamine
CID 102998825
3-[2-[(6-fluoro-2-pyridinyl)amino]ethylsulfanyl]propan-1-ol
CID 103702970
6-fluoro-N-[2-(1-methylcyclopropyl)ethyl]pyridin-2-amine
CID 126990897
6-fluoro-N-prop-2-enylpyridin-2-amine
CID 103624863

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(6-fluoro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine (CID 61228791) is N-(6-fluoro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(6-fluoro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(6-fluoro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNc1cccc(F)n1.
What is the InChIKey of N-(6-fluoro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is TWTVUHDSZYEUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3/c1-14(2)8-4-7-12-10-6-3-5-9(11)13-10/h3,5-6H,4,7-8H2,1-2H3,(H,12,13).
What are the key properties of N-(6-fluoro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine?
N-(6-fluoro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 197.26 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 61228791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).