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

C14H23N3O — CID 116769953

IUPAC3-[amino-(1-methoxycycloheptyl)methyl]pyridin-4-amine
SMILESCOC1(C(N)c2cnccc2N)CCCCCC1
InChIInChI=1S/C14H23N3O/c1-18-14(7-4-2-3-5-8-14)13(16)11-10-17-9-6-12(11)15/h6,9-10,13H,2-5,7-8,16H2,1H3,(H2,15,17)
InChIKeyYMGMCHWWYVPHLQ-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.40
Rot. Bonds3

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

3-[amino-(1-methoxycycloheptyl)methyl]pyridin-4-amine (PubChem CID 116769953) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-[amino-(1-methoxycycloheptyl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[amino-(1-methoxycycloheptyl)methyl]pyridin-4-amine
PubChem CID116769953
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-[amino-(1-methoxycycloheptyl)methyl]pyridin-4-amine
SMILESCOC1(C(N)c2cnccc2N)CCCCCC1
InChIInChI=1S/C14H23N3O/c1-18-14(7-4-2-3-5-8-14)13(16)11-10-17-9-6-12(11)15/h6,9-10,13H,2-5,7-8,16H2,1H3,(H2,15,17)
InChIKeyYMGMCHWWYVPHLQ-UHFFFAOYSA-N
XLogP2.40
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[amino-(1-methoxycycloheptyl)methyl]pyridin-4-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-[amino-(1-methoxycyclobutyl)methyl]pyridin-4-amine
CID 116714089
(4-amino-3-pyridinyl)-(1-methoxycycloheptyl)methanol
CID 116756029
3-[ethylamino-(1-methoxycyclopentyl)methyl]pyridin-4-amine
CID 104611312
3-[(1-methoxycyclohexyl)-(propylamino)methyl]pyridin-4-amine
CID 116763449
isoquinolin-8-yl-(1-methoxycyclobutyl)methanamine
CID 103143784
(4-amino-3-pyridinyl)-(1-ethoxycycloheptyl)methanol
CID 116756255
(1-methoxycycloheptyl)-(4-methyl-3-pyridinyl)methanol
CID 116756007
3-[2-(1-methoxycyclohexyl)-2-(methylamino)ethyl]pyridin-4-amine
CID 116763051
(1-methoxycycloheptyl)-pyrimidin-5-ylmethanamine
CID 116769740
3-[(1-ethoxycyclohexyl)-(ethylamino)methyl]pyridin-4-amine
CID 116764129
3-[2-amino-2-(1-ethoxycyclohexyl)ethyl]pyridin-4-amine
CID 116763733
(1-methoxycycloheptyl)-quinolin-5-ylmethanamine
CID 116769844

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(1-methoxycycloheptyl)methyl]pyridin-4-amine?
The IUPAC name of 3-[amino-(1-methoxycycloheptyl)methyl]pyridin-4-amine (CID 116769953) is 3-[amino-(1-methoxycycloheptyl)methyl]pyridin-4-amine.
What is the SMILES notation for 3-[amino-(1-methoxycycloheptyl)methyl]pyridin-4-amine?
The canonical SMILES for 3-[amino-(1-methoxycycloheptyl)methyl]pyridin-4-amine is COC1(C(N)c2cnccc2N)CCCCCC1.
What is the InChIKey of 3-[amino-(1-methoxycycloheptyl)methyl]pyridin-4-amine?
The InChIKey is YMGMCHWWYVPHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-18-14(7-4-2-3-5-8-14)13(16)11-10-17-9-6-12(11)15/h6,9-10,13H,2-5,7-8,16H2,1H3,(H2,15,17).
What are the key properties of 3-[amino-(1-methoxycycloheptyl)methyl]pyridin-4-amine?
3-[amino-(1-methoxycycloheptyl)methyl]pyridin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(1-methoxycycloheptyl)methyl]pyridin-4-amine is sourced from PubChem (CID 116769953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).