3-(1-amino-2-methoxybutyl)pyridin-2-amine

C10H17N3O — CID 116715178

IUPAC3-(1-amino-2-methoxybutyl)pyridin-2-amine
SMILESCCC(OC)C(N)c1cccnc1N
InChIInChI=1S/C10H17N3O/c1-3-8(14-2)9(11)7-5-4-6-13-10(7)12/h4-6,8-9H,3,11H2,1-2H3,(H2,12,13)
InChIKeyDPUPTFSGOKGOHD-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.09
Rot. Bonds4

About 3-(1-amino-2-methoxybutyl)pyridin-2-amine

3-(1-amino-2-methoxybutyl)pyridin-2-amine (PubChem CID 116715178) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-(1-amino-2-methoxybutyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(1-amino-2-methoxybutyl)pyridin-2-amine
PubChem CID116715178
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-(1-amino-2-methoxybutyl)pyridin-2-amine
SMILESCCC(OC)C(N)c1cccnc1N
InChIInChI=1S/C10H17N3O/c1-3-8(14-2)9(11)7-5-4-6-13-10(7)12/h4-6,8-9H,3,11H2,1-2H3,(H2,12,13)
InChIKeyDPUPTFSGOKGOHD-UHFFFAOYSA-N
XLogP1.09
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(1-amino-2-methoxybutyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-amino-2-ethoxybutyl)pyridin-2-amine
CID 116716352
3-(1-amino-2,2-dimethoxyethyl)pyridin-2-amine
CID 79492532
3-[(1S)-1-aminopropyl]pyridin-2-amine;hydrochloride
CID 171230912
(1S,2S)-1-(2-amino-3-pyridinyl)propane-1,2-diamine
CID 131122997
(1R)-1-amino-1-(2-amino-3-pyridinyl)propan-2-ol
CID 130961552
(1R,2R)-2-amino-1-(2-amino-3-pyridinyl)butan-1-ol
CID 130848050
3-[2-ethoxy-1-(methylamino)butyl]pyridin-2-amine
CID 116716649
3-[(3S)-2-methylpentan-3-yl]pyridin-2-amine
CID 176663633
2-methoxy-1-pyridin-3-ylbutan-1-amine
CID 116715099
2-methoxy-1-phenylbutan-1-amine
CID 43211581
3-(1-amino-2-cyclohexyl-2-ethoxyethyl)pyridin-2-amine
CID 116772126
(2S,3S)-3-methoxy-1-pyrimidin-2-ylpentan-2-amine
CID 135132665

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-2-methoxybutyl)pyridin-2-amine?
The IUPAC name of 3-(1-amino-2-methoxybutyl)pyridin-2-amine (CID 116715178) is 3-(1-amino-2-methoxybutyl)pyridin-2-amine.
What is the SMILES notation for 3-(1-amino-2-methoxybutyl)pyridin-2-amine?
The canonical SMILES for 3-(1-amino-2-methoxybutyl)pyridin-2-amine is CCC(OC)C(N)c1cccnc1N.
What is the InChIKey of 3-(1-amino-2-methoxybutyl)pyridin-2-amine?
The InChIKey is DPUPTFSGOKGOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-8(14-2)9(11)7-5-4-6-13-10(7)12/h4-6,8-9H,3,11H2,1-2H3,(H2,12,13).
What are the key properties of 3-(1-amino-2-methoxybutyl)pyridin-2-amine?
3-(1-amino-2-methoxybutyl)pyridin-2-amine has a molecular weight of 195.27 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-2-methoxybutyl)pyridin-2-amine is sourced from PubChem (CID 116715178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).