1,6-dimethyl-5-(methylamino)azepin-3-ol

C9H14N2O — CID 143695187

IUPAC1,6-dimethyl-5-(methylamino)azepin-3-ol
SMILESCNC1=CC(O)=CN(C)C=C1C
InChIInChI=1S/C9H14N2O/c1-7-5-11(3)6-8(12)4-9(7)10-2/h4-6,10,12H,1-3H3
InChIKeyBKIABPPUGOFVHQ-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.34
Rot. Bonds1

About 1,6-dimethyl-5-(methylamino)azepin-3-ol

1,6-dimethyl-5-(methylamino)azepin-3-ol (PubChem CID 143695187) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1,6-dimethyl-5-(methylamino)azepin-3-ol.

Molecular Properties

Compound Name1,6-dimethyl-5-(methylamino)azepin-3-ol
PubChem CID143695187
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1,6-dimethyl-5-(methylamino)azepin-3-ol
SMILESCNC1=CC(O)=CN(C)C=C1C
InChIInChI=1S/C9H14N2O/c1-7-5-11(3)6-8(12)4-9(7)10-2/h4-6,10,12H,1-3H3
InChIKeyBKIABPPUGOFVHQ-UHFFFAOYSA-N
XLogP1.34
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3Z)-3-[(2E)-2-ethylidene-4-[2-(methylamino)ethyl]-1H-pyrrol-3-ylidene]prop-1-en-2-ol
CID 117725895
(4E,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrrol-3-ol
CID 129035735
(4E,5E)-4,5-di(ethylidene)-1H-pyrrol-3-ol
CID 134194664
(3E)-4-(ethenylamino)hexa-1,3-dien-2-ol
CID 139480973
(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrrol-3-ol
CID 139516748
1H-cyclohepta[b]pyridine-8,9-diol
CID 141297281
1H-cyclohepta[b]pyridin-9-ol
CID 141340000
(3E)-4-methyl-5-(methylamino)hexa-1,3,5-trien-2-ol
CID 141962410
(E,1Z)-1-(2-methylidene-1H-pyrrol-3-ylidene)but-2-en-2-ol
CID 142269992
5-methyl-1H-cyclohepta[b]pyrrol-5-ol
CID 143306256
(2Z)-2-(aminomethylidene)-6-propan-2-yl-1-propylpyridin-4-ol
CID 146289720
1H-cyclohepta[b]pyridin-5-ol
CID 153721175

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-5-(methylamino)azepin-3-ol?
The IUPAC name of 1,6-dimethyl-5-(methylamino)azepin-3-ol (CID 143695187) is 1,6-dimethyl-5-(methylamino)azepin-3-ol.
What is the SMILES notation for 1,6-dimethyl-5-(methylamino)azepin-3-ol?
The canonical SMILES for 1,6-dimethyl-5-(methylamino)azepin-3-ol is CNC1=CC(O)=CN(C)C=C1C.
What is the InChIKey of 1,6-dimethyl-5-(methylamino)azepin-3-ol?
The InChIKey is BKIABPPUGOFVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7-5-11(3)6-8(12)4-9(7)10-2/h4-6,10,12H,1-3H3.
What are the key properties of 1,6-dimethyl-5-(methylamino)azepin-3-ol?
1,6-dimethyl-5-(methylamino)azepin-3-ol has a molecular weight of 166.22 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-5-(methylamino)azepin-3-ol is sourced from PubChem (CID 143695187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).