[2-[3-(diethylamino)propyl-ethylamino]-6-methyl-4-pyridinyl]methanol

C16H29N3O — CID 102996011

IUPAC[2-[3-(diethylamino)propyl-ethylamino]-6-methyl-4-pyridinyl]methanol
SMILESCCN(CC)CCCN(CC)c1cc(CO)cc(C)n1
InChIInChI=1S/C16H29N3O/c1-5-18(6-2)9-8-10-19(7-3)16-12-15(13-20)11-14(4)17-16/h11-12,20H,5-10,13H2,1-4H3
InChIKeyQRQDCQFWWPHGBF-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.44
Rot. Bonds9

About [2-[3-(diethylamino)propyl-ethylamino]-6-methyl-4-pyridinyl]methanol

[2-[3-(diethylamino)propyl-ethylamino]-6-methyl-4-pyridinyl]methanol (PubChem CID 102996011) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is [2-[3-(diethylamino)propyl-ethylamino]-6-methyl-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[3-(diethylamino)propyl-ethylamino]-6-methyl-4-pyridinyl]methanol
PubChem CID102996011
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name[2-[3-(diethylamino)propyl-ethylamino]-6-methyl-4-pyridinyl]methanol
SMILESCCN(CC)CCCN(CC)c1cc(CO)cc(C)n1
InChIInChI=1S/C16H29N3O/c1-5-18(6-2)9-8-10-19(7-3)16-12-15(13-20)11-14(4)17-16/h11-12,20H,5-10,13H2,1-4H3
InChIKeyQRQDCQFWWPHGBF-UHFFFAOYSA-N
XLogP2.44
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[3-(diethylamino)propyl-ethylamino]-4-pyridinyl]methanol
CID 102996028
N'-[4-(chloromethyl)-6-ethyl-2-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102996063
4-N-[3-(diethylamino)propyl]-4-N-ethylpyrimidine-2,4,6-triamine
CID 102998945
4-N-[3-(diethylamino)propyl]-4-N,6-N-diethyl-2-methylpyrimidine-4,6-diamine
CID 102998975
N'-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102991366
N-(2-bromoethyl)-N-ethyl-2,6-dimethylpyrimidin-4-amine
CID 80673540
2-N-[3-(diethylamino)propyl]-2-N-ethylpyrazine-2,6-diamine
CID 102998767
6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylic acid
CID 102994014
[2-[cyclopropyl(2-methoxyethyl)amino]-6-methyl-4-pyridinyl]methanol
CID 113378741
1-[2-[3-(diethylamino)propyl-ethylamino]-4-pyridinyl]ethanol
CID 102994915
6-N-[3-(diethylamino)propyl]-6-N-ethyl-2-N-methylpyridine-2,6-diamine
CID 102998950
2-[ethyl-[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethanol
CID 80791333

Frequently Asked Questions

What is the IUPAC name of [2-[3-(diethylamino)propyl-ethylamino]-6-methyl-4-pyridinyl]methanol?
The IUPAC name of [2-[3-(diethylamino)propyl-ethylamino]-6-methyl-4-pyridinyl]methanol (CID 102996011) is [2-[3-(diethylamino)propyl-ethylamino]-6-methyl-4-pyridinyl]methanol.
What is the SMILES notation for [2-[3-(diethylamino)propyl-ethylamino]-6-methyl-4-pyridinyl]methanol?
The canonical SMILES for [2-[3-(diethylamino)propyl-ethylamino]-6-methyl-4-pyridinyl]methanol is CCN(CC)CCCN(CC)c1cc(CO)cc(C)n1.
What is the InChIKey of [2-[3-(diethylamino)propyl-ethylamino]-6-methyl-4-pyridinyl]methanol?
The InChIKey is QRQDCQFWWPHGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-5-18(6-2)9-8-10-19(7-3)16-12-15(13-20)11-14(4)17-16/h11-12,20H,5-10,13H2,1-4H3.
What are the key properties of [2-[3-(diethylamino)propyl-ethylamino]-6-methyl-4-pyridinyl]methanol?
[2-[3-(diethylamino)propyl-ethylamino]-6-methyl-4-pyridinyl]methanol has a molecular weight of 279.43 g/mol, XLogP of 2.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(diethylamino)propyl-ethylamino]-6-methyl-4-pyridinyl]methanol is sourced from PubChem (CID 102996011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).