5-[[2-(ethylamino)-4-pyridinyl]-methylamino]pentan-1-ol

C13H23N3O — CID 107207562

IUPAC5-[[2-(ethylamino)-4-pyridinyl]-methylamino]pentan-1-ol
SMILESCCNc1cc(N(C)CCCCCO)ccn1
InChIInChI=1S/C13H23N3O/c1-3-14-13-11-12(7-8-15-13)16(2)9-5-4-6-10-17/h7-8,11,17H,3-6,9-10H2,1-2H3,(H,14,15)
InChIKeyVYEXZINRACPMBJ-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.11
Rot. Bonds8

About 5-[[2-(ethylamino)-4-pyridinyl]-methylamino]pentan-1-ol

5-[[2-(ethylamino)-4-pyridinyl]-methylamino]pentan-1-ol (PubChem CID 107207562) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 5-[[2-(ethylamino)-4-pyridinyl]-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[[2-(ethylamino)-4-pyridinyl]-methylamino]pentan-1-ol
PubChem CID107207562
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name5-[[2-(ethylamino)-4-pyridinyl]-methylamino]pentan-1-ol
SMILESCCNc1cc(N(C)CCCCCO)ccn1
InChIInChI=1S/C13H23N3O/c1-3-14-13-11-12(7-8-15-13)16(2)9-5-4-6-10-17/h7-8,11,17H,3-6,9-10H2,1-2H3,(H,14,15)
InChIKeyVYEXZINRACPMBJ-UHFFFAOYSA-N
XLogP2.11
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-[5-hydroxypentyl(methyl)amino]pyridine-2-carboxamide
CID 107203439
5-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]pentan-1-ol
CID 107207483
5-[(2-methoxy-4-pyridinyl)-methylamino]pentan-1-ol
CID 107203261
2-[[2-(ethylamino)-4-pyridinyl]-methylamino]propan-1-ol
CID 104557112
3-[2-(ethylamino)-4-pyridinyl]propan-1-ol
CID 57075658
6-N-ethyl-4-N-[3-(N-methylanilino)propyl]pyrimidine-4,6-diamine
CID 80771230
6-(N,3-dimethylanilino)hexan-1-ol
CID 103737894
2-[[2-(ethylamino)-4-pyridinyl]methyl-propan-2-ylamino]ethanol
CID 62465051
5-(N,4-dimethylanilino)pentan-1-ol
CID 62226910
ethane;2-N-ethyl-4-N,4-N-dimethylpyridine-2,4-diamine;1-methylpiperidine
CID 169122748
5-(4-ethylsulfonyl-N-methylanilino)pentan-1-ol
CID 107203360
[4-[3-(dimethylamino)propyl-methylamino]-2-pyridinyl]methanol
CID 63700089

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(ethylamino)-4-pyridinyl]-methylamino]pentan-1-ol?
The IUPAC name of 5-[[2-(ethylamino)-4-pyridinyl]-methylamino]pentan-1-ol (CID 107207562) is 5-[[2-(ethylamino)-4-pyridinyl]-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[[2-(ethylamino)-4-pyridinyl]-methylamino]pentan-1-ol?
The canonical SMILES for 5-[[2-(ethylamino)-4-pyridinyl]-methylamino]pentan-1-ol is CCNc1cc(N(C)CCCCCO)ccn1.
What is the InChIKey of 5-[[2-(ethylamino)-4-pyridinyl]-methylamino]pentan-1-ol?
The InChIKey is VYEXZINRACPMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-14-13-11-12(7-8-15-13)16(2)9-5-4-6-10-17/h7-8,11,17H,3-6,9-10H2,1-2H3,(H,14,15).
What are the key properties of 5-[[2-(ethylamino)-4-pyridinyl]-methylamino]pentan-1-ol?
5-[[2-(ethylamino)-4-pyridinyl]-methylamino]pentan-1-ol has a molecular weight of 237.35 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(ethylamino)-4-pyridinyl]-methylamino]pentan-1-ol is sourced from PubChem (CID 107207562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).