2-amino-4-methyl-3-pyridin-4-ylpentan-1-ol

C11H18N2O — CID 112715297

IUPAC2-amino-4-methyl-3-pyridin-4-ylpentan-1-ol
SMILESCC(C)C(c1ccncc1)C(N)CO
InChIInChI=1S/C11H18N2O/c1-8(2)11(10(12)7-14)9-3-5-13-6-4-9/h3-6,8,10-11,14H,7,12H2,1-2H3
InChIKeyFXVQVQCJZGMCBT-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.14
Rot. Bonds4

About 2-amino-4-methyl-3-pyridin-4-ylpentan-1-ol

2-amino-4-methyl-3-pyridin-4-ylpentan-1-ol (PubChem CID 112715297) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-amino-4-methyl-3-pyridin-4-ylpentan-1-ol.

Molecular Properties

Compound Name2-amino-4-methyl-3-pyridin-4-ylpentan-1-ol
PubChem CID112715297
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-amino-4-methyl-3-pyridin-4-ylpentan-1-ol
SMILESCC(C)C(c1ccncc1)C(N)CO
InChIInChI=1S/C11H18N2O/c1-8(2)11(10(12)7-14)9-3-5-13-6-4-9/h3-6,8,10-11,14H,7,12H2,1-2H3
InChIKeyFXVQVQCJZGMCBT-UHFFFAOYSA-N
XLogP1.14
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2,2-dimethyl-1-pyridin-4-ylpropan-1-amine
CID 94424618
4-pyridin-4-ylpentan-2-amine
CID 112714269
(2S)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propan-1-ol
CID 93082825
ethane;molecular hydrogen;(1S)-1-pyridin-4-ylethanamine
CID 142237918
(1S)-1-pyridin-4-ylpropan-1-amine
CID 26722519
(1R)-2,2-dimethyl-1-pyridin-4-ylpropan-1-amine;hydrochloride
CID 171246376
3-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride
CID 122156680
(1R)-4-methyl-1-pyridin-4-ylpentan-1-amine;hydrochloride
CID 171200288
(1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride
CID 171200287
3-(dimethylamino)-2-pyridin-4-ylpropan-1-ol
CID 117246509
3-(methylamino)-2-pyridin-4-ylpropan-1-ol
CID 117246508
1-pyridin-4-ylbutane-2,3-diamine
CID 91386861

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-3-pyridin-4-ylpentan-1-ol?
The IUPAC name of 2-amino-4-methyl-3-pyridin-4-ylpentan-1-ol (CID 112715297) is 2-amino-4-methyl-3-pyridin-4-ylpentan-1-ol.
What is the SMILES notation for 2-amino-4-methyl-3-pyridin-4-ylpentan-1-ol?
The canonical SMILES for 2-amino-4-methyl-3-pyridin-4-ylpentan-1-ol is CC(C)C(c1ccncc1)C(N)CO.
What is the InChIKey of 2-amino-4-methyl-3-pyridin-4-ylpentan-1-ol?
The InChIKey is FXVQVQCJZGMCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(2)11(10(12)7-14)9-3-5-13-6-4-9/h3-6,8,10-11,14H,7,12H2,1-2H3.
What are the key properties of 2-amino-4-methyl-3-pyridin-4-ylpentan-1-ol?
2-amino-4-methyl-3-pyridin-4-ylpentan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-3-pyridin-4-ylpentan-1-ol is sourced from PubChem (CID 112715297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).