1-N,1-N-diethyl-4-N-(5-methyl-2-pyridinyl)pentane-1,4-diamine

C15H27N3 — CID 43095595

IUPAC1-N,1-N-diethyl-4-N-(5-methyl-2-pyridinyl)pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1ccc(C)cn1
InChIInChI=1S/C15H27N3/c1-5-18(6-2)11-7-8-14(4)17-15-10-9-13(3)12-16-15/h9-10,12,14H,5-8,11H2,1-4H3,(H,16,17)
InChIKeyPARUBPHWVKPWBE-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.31
Rot. Bonds8

About 1-N,1-N-diethyl-4-N-(5-methyl-2-pyridinyl)pentane-1,4-diamine

1-N,1-N-diethyl-4-N-(5-methyl-2-pyridinyl)pentane-1,4-diamine (PubChem CID 43095595) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-(5-methyl-2-pyridinyl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-(5-methyl-2-pyridinyl)pentane-1,4-diamine
PubChem CID43095595
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-N,1-N-diethyl-4-N-(5-methyl-2-pyridinyl)pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1ccc(C)cn1
InChIInChI=1S/C15H27N3/c1-5-18(6-2)11-7-8-14(4)17-15-10-9-13(3)12-16-15/h9-10,12,14H,5-8,11H2,1-4H3,(H,16,17)
InChIKeyPARUBPHWVKPWBE-UHFFFAOYSA-N
XLogP3.31
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,5-diamine
CID 43115432
6-[5-(diethylamino)pentan-2-ylamino]pyridine-3-carbonitrile
CID 24692421
(4R)-1-N,1-N-diethyl-4-N-pyridin-2-ylpentane-1,4-diamine
CID 40545835
N-(4-ethylsulfanylbutan-2-yl)-5-methylpyridin-2-amine
CID 115744764
(4S)-1-N,1-N-diethyl-4-N-quinolin-2-ylpentane-1,4-diamine
CID 36691119
3-[[N-[5-(diethylamino)pentan-2-yl]-N'-methylcarbamimidoyl]amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 110998835
4-N-[5-(diethylamino)pentan-2-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64831242
4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 66325658
4-N-(2,5-dichloropyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 79633492
3-bromo-2-N-[5-(diethylamino)pentan-2-yl]-4-methylpyridine-2,5-diamine
CID 104506257
2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,3,4-triamine;hydrochloride
CID 54606444
4-[5-(diethylamino)pentan-2-ylamino]-2-methyl-1H-pyrimidin-6-one
CID 136955975

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-(5-methyl-2-pyridinyl)pentane-1,4-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-N-(5-methyl-2-pyridinyl)pentane-1,4-diamine (CID 43095595) is 1-N,1-N-diethyl-4-N-(5-methyl-2-pyridinyl)pentane-1,4-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-(5-methyl-2-pyridinyl)pentane-1,4-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-N-(5-methyl-2-pyridinyl)pentane-1,4-diamine is CCN(CC)CCCC(C)Nc1ccc(C)cn1.
What is the InChIKey of 1-N,1-N-diethyl-4-N-(5-methyl-2-pyridinyl)pentane-1,4-diamine?
The InChIKey is PARUBPHWVKPWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-18(6-2)11-7-8-14(4)17-15-10-9-13(3)12-16-15/h9-10,12,14H,5-8,11H2,1-4H3,(H,16,17).
What are the key properties of 1-N,1-N-diethyl-4-N-(5-methyl-2-pyridinyl)pentane-1,4-diamine?
1-N,1-N-diethyl-4-N-(5-methyl-2-pyridinyl)pentane-1,4-diamine has a molecular weight of 249.40 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-N-(5-methyl-2-pyridinyl)pentane-1,4-diamine is sourced from PubChem (CID 43095595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).