3-bromo-2-N-[5-(diethylamino)pentan-2-yl]-4-methylpyridine-2,5-diamine

C15H27BrN4 — CID 104506257

IUPAC3-bromo-2-N-[5-(diethylamino)pentan-2-yl]-4-methylpyridine-2,5-diamine
SMILESCCN(CC)CCCC(C)Nc1ncc(N)c(C)c1Br
InChIInChI=1S/C15H27BrN4/c1-5-20(6-2)9-7-8-11(3)19-15-14(16)12(4)13(17)10-18-15/h10-11H,5-9,17H2,1-4H3,(H,18,19)
InChIKeyFYVPPAHBFDLARD-UHFFFAOYSA-N
MW343.31 g/mol
LogP3.66
Rot. Bonds8

About 3-bromo-2-N-[5-(diethylamino)pentan-2-yl]-4-methylpyridine-2,5-diamine

3-bromo-2-N-[5-(diethylamino)pentan-2-yl]-4-methylpyridine-2,5-diamine (PubChem CID 104506257) has the molecular formula C15H27BrN4 and a molecular weight of 343.31 g/mol. Its IUPAC name is 3-bromo-2-N-[5-(diethylamino)pentan-2-yl]-4-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-[5-(diethylamino)pentan-2-yl]-4-methylpyridine-2,5-diamine
PubChem CID104506257
Molecular FormulaC15H27BrN4
Molecular Weight343.31 g/mol
Exact Mass342.14
IUPAC Name3-bromo-2-N-[5-(diethylamino)pentan-2-yl]-4-methylpyridine-2,5-diamine
SMILESCCN(CC)CCCC(C)Nc1ncc(N)c(C)c1Br
InChIInChI=1S/C15H27BrN4/c1-5-20(6-2)9-7-8-11(3)19-15-14(16)12(4)13(17)10-18-15/h10-11H,5-9,17H2,1-4H3,(H,18,19)
InChIKeyFYVPPAHBFDLARD-UHFFFAOYSA-N
XLogP3.66
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-methyl-2-N-(6-methylheptan-2-yl)pyridine-2,5-diamine
CID 104506559
3-bromo-2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,5-diamine
CID 79532522
2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,3,4-triamine;hydrochloride
CID 54606444
2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,5-diamine
CID 43115432
1-N,1-N-diethyl-4-N-(5-methyl-2-pyridinyl)pentane-1,4-diamine
CID 43095595
6-chloro-4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-4,5-diamine
CID 55143692
4-N-(3-bromo-5-nitro-2-pyridinyl)-1-N,1-N-diethylpentane-1,4-diamine
CID 79530972
4-N-(2,5-dichloropyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 79633492
3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine
CID 104506234
3-bromo-4-methyl-2-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2,5-diamine
CID 104506572
3-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)-4-methylpyridine-2,5-diamine
CID 104506932
2,6-dichloro-1-N-[5-(diethylamino)pentan-2-yl]benzene-1,4-diamine
CID 106889815

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-[5-(diethylamino)pentan-2-yl]-4-methylpyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-[5-(diethylamino)pentan-2-yl]-4-methylpyridine-2,5-diamine (CID 104506257) is 3-bromo-2-N-[5-(diethylamino)pentan-2-yl]-4-methylpyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-[5-(diethylamino)pentan-2-yl]-4-methylpyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-[5-(diethylamino)pentan-2-yl]-4-methylpyridine-2,5-diamine is CCN(CC)CCCC(C)Nc1ncc(N)c(C)c1Br.
What is the InChIKey of 3-bromo-2-N-[5-(diethylamino)pentan-2-yl]-4-methylpyridine-2,5-diamine?
The InChIKey is FYVPPAHBFDLARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BrN4/c1-5-20(6-2)9-7-8-11(3)19-15-14(16)12(4)13(17)10-18-15/h10-11H,5-9,17H2,1-4H3,(H,18,19).
What are the key properties of 3-bromo-2-N-[5-(diethylamino)pentan-2-yl]-4-methylpyridine-2,5-diamine?
3-bromo-2-N-[5-(diethylamino)pentan-2-yl]-4-methylpyridine-2,5-diamine has a molecular weight of 343.31 g/mol, XLogP of 3.66, 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]-4-methylpyridine-2,5-diamine is sourced from PubChem (CID 104506257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).