3-bromo-2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,5-diamine

C14H25BrN4 — CID 79532522

IUPAC3-bromo-2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,5-diamine
SMILESCCN(CC)CCCC(C)Nc1ncc(N)cc1Br
InChIInChI=1S/C14H25BrN4/c1-4-19(5-2)8-6-7-11(3)18-14-13(15)9-12(16)10-17-14/h9-11H,4-8,16H2,1-3H3,(H,17,18)
InChIKeyILAAQGWNVZHBKB-UHFFFAOYSA-N
MW329.29 g/mol
LogP3.35
Rot. Bonds8

About 3-bromo-2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,5-diamine

3-bromo-2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,5-diamine (PubChem CID 79532522) has the molecular formula C14H25BrN4 and a molecular weight of 329.29 g/mol. Its IUPAC name is 3-bromo-2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,5-diamine
PubChem CID79532522
Molecular FormulaC14H25BrN4
Molecular Weight329.29 g/mol
Exact Mass328.13
IUPAC Name3-bromo-2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,5-diamine
SMILESCCN(CC)CCCC(C)Nc1ncc(N)cc1Br
InChIInChI=1S/C14H25BrN4/c1-4-19(5-2)8-6-7-11(3)18-14-13(15)9-12(16)10-17-14/h9-11H,4-8,16H2,1-3H3,(H,17,18)
InChIKeyILAAQGWNVZHBKB-UHFFFAOYSA-N
XLogP3.35
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.29
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-bromo-5-nitro-2-pyridinyl)-1-N,1-N-diethylpentane-1,4-diamine
CID 79530972
3-bromo-2-N-[5-(diethylamino)pentan-2-yl]-4-methylpyridine-2,5-diamine
CID 104506257
2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,5-diamine
CID 43115432
2,6-dichloro-1-N-[5-(diethylamino)pentan-2-yl]benzene-1,4-diamine
CID 106889815
6-chloro-4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-4,5-diamine
CID 55143692
2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,3,4-triamine;hydrochloride
CID 54606444
4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-2,4,6-triamine
CID 80785658
4-N-(2,5-dichloropyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 79633492
3-bromo-5-methyl-N-octan-2-ylpyridin-2-amine
CID 105366826
3-bromo-2-N-(3,3-dimethylbutan-2-yl)pyridine-2,5-diamine
CID 104827426
3-bromo-2-N-(1-phenylethyl)pyridine-2,5-diamine
CID 79531608
(4S)-4-N-(6-bromoquinazolin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 129385047

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,5-diamine (CID 79532522) is 3-bromo-2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,5-diamine is CCN(CC)CCCC(C)Nc1ncc(N)cc1Br.
What is the InChIKey of 3-bromo-2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,5-diamine?
The InChIKey is ILAAQGWNVZHBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrN4/c1-4-19(5-2)8-6-7-11(3)18-14-13(15)9-12(16)10-17-14/h9-11H,4-8,16H2,1-3H3,(H,17,18).
What are the key properties of 3-bromo-2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,5-diamine?
3-bromo-2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,5-diamine has a molecular weight of 329.29 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,5-diamine is sourced from PubChem (CID 79532522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).