3-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-cyclobutylamino]propan-1-ol

C13H20ClN3O — CID 107055806

IUPAC3-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-cyclobutylamino]propan-1-ol
SMILESNCc1ccnc(N(CCCO)C2CCC2)c1Cl
InChIInChI=1S/C13H20ClN3O/c14-12-10(9-15)5-6-16-13(12)17(7-2-8-18)11-3-1-4-11/h5-6,11,18H,1-4,7-9,15H2
InChIKeyACFQGMPFOYYCOH-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.93
Rot. Bonds6

About 3-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-cyclobutylamino]propan-1-ol

3-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-cyclobutylamino]propan-1-ol (PubChem CID 107055806) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 3-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-cyclobutylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-cyclobutylamino]propan-1-ol
PubChem CID107055806
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name3-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-cyclobutylamino]propan-1-ol
SMILESNCc1ccnc(N(CCCO)C2CCC2)c1Cl
InChIInChI=1S/C13H20ClN3O/c14-12-10(9-15)5-6-16-13(12)17(7-2-8-18)11-3-1-4-11/h5-6,11,18H,1-4,7-9,15H2
InChIKeyACFQGMPFOYYCOH-UHFFFAOYSA-N
XLogP1.93
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-cyclopropylamino]ethanol
CID 107055331
3-chloro-2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-4-carboximidamide
CID 107060400
3-[cyclobutyl-[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol
CID 102869240
4-(aminomethyl)-3-chloro-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 107055267
3-[(2-aminopyrimidin-4-yl)-cyclobutylamino]propan-1-ol
CID 102875612
2-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-propan-2-ylamino]ethanol
CID 107055329
4-(aminomethyl)-N-butyl-N-cyclopropyl-3-fluoropyridin-2-amine
CID 105389359
2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carboxylic acid
CID 102863145
2-[cyclobutyl(3-hydroxypropyl)amino]pyrimidine-4-carbothioamide
CID 107548195
4-(aminomethyl)-3-chloro-N-(cyclopentylmethyl)-N-methylpyridin-2-amine
CID 107055552
1-[2-[cyclobutyl(3-hydroxypropyl)amino]-3-pyridinyl]ethanone
CID 114055612
3-[cyclobutyl(3-hydroxypropyl)amino]pyrazine-2-carboximidamide
CID 102862992

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-cyclobutylamino]propan-1-ol?
The IUPAC name of 3-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-cyclobutylamino]propan-1-ol (CID 107055806) is 3-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-cyclobutylamino]propan-1-ol.
What is the SMILES notation for 3-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-cyclobutylamino]propan-1-ol?
The canonical SMILES for 3-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-cyclobutylamino]propan-1-ol is NCc1ccnc(N(CCCO)C2CCC2)c1Cl.
What is the InChIKey of 3-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-cyclobutylamino]propan-1-ol?
The InChIKey is ACFQGMPFOYYCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c14-12-10(9-15)5-6-16-13(12)17(7-2-8-18)11-3-1-4-11/h5-6,11,18H,1-4,7-9,15H2.
What are the key properties of 3-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-cyclobutylamino]propan-1-ol?
3-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-cyclobutylamino]propan-1-ol has a molecular weight of 269.78 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-cyclobutylamino]propan-1-ol is sourced from PubChem (CID 107055806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).