3-[amino-(1-methoxycyclobutyl)methyl]pyridin-4-amine

C11H17N3O — CID 116714089

IUPAC3-[amino-(1-methoxycyclobutyl)methyl]pyridin-4-amine
SMILESCOC1(C(N)c2cnccc2N)CCC1
InChIInChI=1S/C11H17N3O/c1-15-11(4-2-5-11)10(13)8-7-14-6-3-9(8)12/h3,6-7,10H,2,4-5,13H2,1H3,(H2,12,14)
InChIKeyUZXBFEZCGXAPAT-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.23
Rot. Bonds3

About 3-[amino-(1-methoxycyclobutyl)methyl]pyridin-4-amine

3-[amino-(1-methoxycyclobutyl)methyl]pyridin-4-amine (PubChem CID 116714089) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-[amino-(1-methoxycyclobutyl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[amino-(1-methoxycyclobutyl)methyl]pyridin-4-amine
PubChem CID116714089
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-[amino-(1-methoxycyclobutyl)methyl]pyridin-4-amine
SMILESCOC1(C(N)c2cnccc2N)CCC1
InChIInChI=1S/C11H17N3O/c1-15-11(4-2-5-11)10(13)8-7-14-6-3-9(8)12/h3,6-7,10H,2,4-5,13H2,1H3,(H2,12,14)
InChIKeyUZXBFEZCGXAPAT-UHFFFAOYSA-N
XLogP1.23
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[amino-(1-methoxycycloheptyl)methyl]pyridin-4-amine
CID 116769953
(4-amino-3-pyridinyl)-(1-methoxycycloheptyl)methanol
CID 116756029
isoquinolin-8-yl-(1-methoxycyclobutyl)methanamine
CID 103143784
3-[ethylamino-(1-methoxycyclopentyl)methyl]pyridin-4-amine
CID 104611312
3-[(1-methoxycyclohexyl)-(propylamino)methyl]pyridin-4-amine
CID 116763449
(4-amino-3-pyridinyl)-(1-ethoxycycloheptyl)methanol
CID 116756255
3-[(1-ethoxycyclohexyl)-(ethylamino)methyl]pyridin-4-amine
CID 116764129
(1-methoxycycloheptyl)-(4-methyl-3-pyridinyl)methanol
CID 116756007
3-[2-(1-methoxycyclohexyl)-2-(methylamino)ethyl]pyridin-4-amine
CID 116763051
3-[2-amino-2-(1-ethoxycyclohexyl)ethyl]pyridin-4-amine
CID 116763733
(1-methoxycycloheptyl)-pyrimidin-5-ylmethanamine
CID 116769740
(5-fluoro-2-methylphenyl)-(1-methoxycyclobutyl)methanamine
CID 116713879

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(1-methoxycyclobutyl)methyl]pyridin-4-amine?
The IUPAC name of 3-[amino-(1-methoxycyclobutyl)methyl]pyridin-4-amine (CID 116714089) is 3-[amino-(1-methoxycyclobutyl)methyl]pyridin-4-amine.
What is the SMILES notation for 3-[amino-(1-methoxycyclobutyl)methyl]pyridin-4-amine?
The canonical SMILES for 3-[amino-(1-methoxycyclobutyl)methyl]pyridin-4-amine is COC1(C(N)c2cnccc2N)CCC1.
What is the InChIKey of 3-[amino-(1-methoxycyclobutyl)methyl]pyridin-4-amine?
The InChIKey is UZXBFEZCGXAPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-15-11(4-2-5-11)10(13)8-7-14-6-3-9(8)12/h3,6-7,10H,2,4-5,13H2,1H3,(H2,12,14).
What are the key properties of 3-[amino-(1-methoxycyclobutyl)methyl]pyridin-4-amine?
3-[amino-(1-methoxycyclobutyl)methyl]pyridin-4-amine has a molecular weight of 207.28 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(1-methoxycyclobutyl)methyl]pyridin-4-amine is sourced from PubChem (CID 116714089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).