2-amino-4-[methyl(2-pyridin-4-ylethyl)amino]butan-1-ol

C12H21N3O — CID 64825859

IUPAC2-amino-4-[methyl(2-pyridin-4-ylethyl)amino]butan-1-ol
SMILESCN(CCc1ccncc1)CCC(N)CO
InChIInChI=1S/C12H21N3O/c1-15(9-5-12(13)10-16)8-4-11-2-6-14-7-3-11/h2-3,6-7,12,16H,4-5,8-10,13H2,1H3
InChIKeyNLAYOWDARDHCLD-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.27
Rot. Bonds7

About 2-amino-4-[methyl(2-pyridin-4-ylethyl)amino]butan-1-ol

2-amino-4-[methyl(2-pyridin-4-ylethyl)amino]butan-1-ol (PubChem CID 64825859) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-amino-4-[methyl(2-pyridin-4-ylethyl)amino]butan-1-ol.

Molecular Properties

Compound Name2-amino-4-[methyl(2-pyridin-4-ylethyl)amino]butan-1-ol
PubChem CID64825859
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-amino-4-[methyl(2-pyridin-4-ylethyl)amino]butan-1-ol
SMILESCN(CCc1ccncc1)CCC(N)CO
InChIInChI=1S/C12H21N3O/c1-15(9-5-12(13)10-16)8-4-11-2-6-14-7-3-11/h2-3,6-7,12,16H,4-5,8-10,13H2,1H3
InChIKeyNLAYOWDARDHCLD-UHFFFAOYSA-N
XLogP0.27
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 7138367
1-(4-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine
CID 62644490
(2R,3R)-1-N,3-dimethyl-1-N-(2-pyridin-4-ylethyl)pentane-1,2-diamine
CID 94174191
3,3-diethoxy-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 63629114
4-methoxy-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 62476974
N-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine
CID 61286935
1-(3-amino-4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-ol
CID 82136106
2-(cyclopropylamino)-4-[methyl(2-pyridin-4-ylethyl)amino]butanamide
CID 63054235
2-ethoxy-4-[methyl(2-pyridin-4-ylethyl)amino]butanoic acid
CID 63067599
2-(methylamino)-4-[methyl(2-pyridin-4-ylethyl)amino]butanenitrile
CID 63029274
3-chloro-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 61286728
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[methyl(2-pyridin-4-ylethyl)amino]butan-1-ol?
The IUPAC name of 2-amino-4-[methyl(2-pyridin-4-ylethyl)amino]butan-1-ol (CID 64825859) is 2-amino-4-[methyl(2-pyridin-4-ylethyl)amino]butan-1-ol.
What is the SMILES notation for 2-amino-4-[methyl(2-pyridin-4-ylethyl)amino]butan-1-ol?
The canonical SMILES for 2-amino-4-[methyl(2-pyridin-4-ylethyl)amino]butan-1-ol is CN(CCc1ccncc1)CCC(N)CO.
What is the InChIKey of 2-amino-4-[methyl(2-pyridin-4-ylethyl)amino]butan-1-ol?
The InChIKey is NLAYOWDARDHCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-15(9-5-12(13)10-16)8-4-11-2-6-14-7-3-11/h2-3,6-7,12,16H,4-5,8-10,13H2,1H3.
What are the key properties of 2-amino-4-[methyl(2-pyridin-4-ylethyl)amino]butan-1-ol?
2-amino-4-[methyl(2-pyridin-4-ylethyl)amino]butan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[methyl(2-pyridin-4-ylethyl)amino]butan-1-ol is sourced from PubChem (CID 64825859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).