3-amino-2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol

C12H21N3O — CID 104711102

IUPAC3-amino-2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol
SMILESCCN(Cc1cccc(C)n1)C(CN)CO
InChIInChI=1S/C12H21N3O/c1-3-15(12(7-13)9-16)8-11-6-4-5-10(2)14-11/h4-6,12,16H,3,7-9,13H2,1-2H3
InChIKeyPJNBPAQJQAHDQY-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.53
Rot. Bonds6

About 3-amino-2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol

3-amino-2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol (PubChem CID 104711102) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-amino-2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-amino-2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol
PubChem CID104711102
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-amino-2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol
SMILESCCN(Cc1cccc(C)n1)C(CN)CO
InChIInChI=1S/C12H21N3O/c1-3-15(12(7-13)9-16)8-11-6-4-5-10(2)14-11/h4-6,12,16H,3,7-9,13H2,1-2H3
InChIKeyPJNBPAQJQAHDQY-UHFFFAOYSA-N
XLogP0.53
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pentan-1-ol
CID 113459497
ethyl 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pentanoate
CID 82838965
2-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]ethanol
CID 79261151
3-amino-N-ethyl-2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 114145142
2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-3-methoxypropanehydrazide
CID 103229759
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-propan-2-ylpropan-1-amine
CID 23588532
(2S)-1-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-2-ol
CID 103935273
2-N-ethyl-2-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2,5-diamine
CID 80652405
[6-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methanol
CID 102022866
2-N,2-diethyl-2-N-[(6-methyl-2-pyridinyl)methyl]butane-1,2-diamine
CID 79267944
2-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetic acid
CID 79261215
2-amino-3-(6-methyl-2-pyridinyl)propan-1-ol;hydrochloride
CID 170891881

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol?
The IUPAC name of 3-amino-2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol (CID 104711102) is 3-amino-2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol.
What is the SMILES notation for 3-amino-2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol?
The canonical SMILES for 3-amino-2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol is CCN(Cc1cccc(C)n1)C(CN)CO.
What is the InChIKey of 3-amino-2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol?
The InChIKey is PJNBPAQJQAHDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-15(12(7-13)9-16)8-11-6-4-5-10(2)14-11/h4-6,12,16H,3,7-9,13H2,1-2H3.
What are the key properties of 3-amino-2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol?
3-amino-2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol is sourced from PubChem (CID 104711102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).