1-amino-3-(6-methyl-1,3,4,5-tetrahydrocyclohepta[c]pyridin-2-yl)propan-2-ol

C14H22N2O — CID 139297407

IUPAC1-amino-3-(6-methyl-1,3,4,5-tetrahydrocyclohepta[c]pyridin-2-yl)propan-2-ol
SMILESCC1=CC=CC2=C(CCN(CC(O)CN)C2)C1
InChIInChI=1S/C14H22N2O/c1-11-3-2-4-13-9-16(10-14(17)8-15)6-5-12(13)7-11/h2-4,14,17H,5-10,15H2,1H3
InChIKeyWUZGYCQKGWVERN-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.21
Rot. Bonds3

About 1-amino-3-(6-methyl-1,3,4,5-tetrahydrocyclohepta[c]pyridin-2-yl)propan-2-ol

1-amino-3-(6-methyl-1,3,4,5-tetrahydrocyclohepta[c]pyridin-2-yl)propan-2-ol (PubChem CID 139297407) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-amino-3-(6-methyl-1,3,4,5-tetrahydrocyclohepta[c]pyridin-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(6-methyl-1,3,4,5-tetrahydrocyclohepta[c]pyridin-2-yl)propan-2-ol
PubChem CID139297407
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-amino-3-(6-methyl-1,3,4,5-tetrahydrocyclohepta[c]pyridin-2-yl)propan-2-ol
SMILESCC1=CC=CC2=C(CCN(CC(O)CN)C2)C1
InChIInChI=1S/C14H22N2O/c1-11-3-2-4-13-9-16(10-14(17)8-15)6-5-12(13)7-11/h2-4,14,17H,5-10,15H2,1H3
InChIKeyWUZGYCQKGWVERN-UHFFFAOYSA-N
XLogP1.21
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(2S)-1-amino-3-(azonan-1-yl)propan-2-ol
CID 131048167
1-amino-3-(azonan-1-yl)propan-2-ol
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4-[2-(3-amino-2-hydroxypropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzaldehyde
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CID 130667772
1-amino-3-(4-propan-2-ylpiperidin-1-yl)propan-2-ol
CID 103494900
N-[(2S)-2-hydroxy-3-(3,4,5,6-tetrahydro-1H-isoquinolin-2-yl)propyl]-2H-benzotriazole-5-carboxamide
CID 139297385

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(6-methyl-1,3,4,5-tetrahydrocyclohepta[c]pyridin-2-yl)propan-2-ol?
The IUPAC name of 1-amino-3-(6-methyl-1,3,4,5-tetrahydrocyclohepta[c]pyridin-2-yl)propan-2-ol (CID 139297407) is 1-amino-3-(6-methyl-1,3,4,5-tetrahydrocyclohepta[c]pyridin-2-yl)propan-2-ol.
What is the SMILES notation for 1-amino-3-(6-methyl-1,3,4,5-tetrahydrocyclohepta[c]pyridin-2-yl)propan-2-ol?
The canonical SMILES for 1-amino-3-(6-methyl-1,3,4,5-tetrahydrocyclohepta[c]pyridin-2-yl)propan-2-ol is CC1=CC=CC2=C(CCN(CC(O)CN)C2)C1.
What is the InChIKey of 1-amino-3-(6-methyl-1,3,4,5-tetrahydrocyclohepta[c]pyridin-2-yl)propan-2-ol?
The InChIKey is WUZGYCQKGWVERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-3-2-4-13-9-16(10-14(17)8-15)6-5-12(13)7-11/h2-4,14,17H,5-10,15H2,1H3.
What are the key properties of 1-amino-3-(6-methyl-1,3,4,5-tetrahydrocyclohepta[c]pyridin-2-yl)propan-2-ol?
1-amino-3-(6-methyl-1,3,4,5-tetrahydrocyclohepta[c]pyridin-2-yl)propan-2-ol has a molecular weight of 234.34 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(6-methyl-1,3,4,5-tetrahydrocyclohepta[c]pyridin-2-yl)propan-2-ol is sourced from PubChem (CID 139297407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).