4-(methylaminomethyl)cyclohepta-2,4,6-trien-1-ol

C9H13NO — CID 142206585

IUPAC4-(methylaminomethyl)cyclohepta-2,4,6-trien-1-ol
SMILESCNCC1=CC=CC(O)C=C1
InChIInChI=1S/C9H13NO/c1-10-7-8-3-2-4-9(11)6-5-8/h2-6,9-11H,7H2,1H3
InChIKeyCDZSQRDPNZQRQL-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.62
Rot. Bonds2

About 4-(methylaminomethyl)cyclohepta-2,4,6-trien-1-ol

4-(methylaminomethyl)cyclohepta-2,4,6-trien-1-ol (PubChem CID 142206585) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-(methylaminomethyl)cyclohepta-2,4,6-trien-1-ol.

Molecular Properties

Compound Name4-(methylaminomethyl)cyclohepta-2,4,6-trien-1-ol
PubChem CID142206585
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name4-(methylaminomethyl)cyclohepta-2,4,6-trien-1-ol
SMILESCNCC1=CC=CC(O)C=C1
InChIInChI=1S/C9H13NO/c1-10-7-8-3-2-4-9(11)6-5-8/h2-6,9-11H,7H2,1H3
InChIKeyCDZSQRDPNZQRQL-UHFFFAOYSA-N
XLogP0.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-azepin-4-yl)ethanol
CID 89156860
(2E,4E,6E)-2-methyl-1-(methylamino)nona-2,4,6-trien-4-ol
CID 132044721
(2E)-3-(ethylaminomethyl)penta-2,4-dien-1-ol
CID 134405257
5-Azatricyclo[9.4.0.03,8]pentadeca-1,3(8),6,10,12,14-hexaen-9-ol
CID 141851696
1-Cyclohepta-1,3,6-trien-1-yl-2-(methylamino)ethanol
CID 142050436
4-[1-Hydroxy-2-(methylamino)ethyl]cyclohepta-2,4,6-trien-1-ol
CID 142123453
ethane;ethanol;(2E,4E,5Z)-4-ethylidene-N,2-dimethylhepta-2,5-dien-1-amine
CID 142918885
(3Z,5Z)-4-(methylaminomethyl)hepta-1,3,5-trien-3-ol
CID 142953251
ethanol;(2E)-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine
CID 143457518
ethanol;(E,2Z)-2-ethylidene-N-methylhex-3-en-1-amine
CID 143654275
(2E,4Z)-4-(methylaminomethyl)hepta-2,4,6-trien-3-ol
CID 144276874
Ethane;5-(methylaminomethyl)cyclohepta-1,4,6-trien-1-ol
CID 144922061

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)cyclohepta-2,4,6-trien-1-ol?
The IUPAC name of 4-(methylaminomethyl)cyclohepta-2,4,6-trien-1-ol (CID 142206585) is 4-(methylaminomethyl)cyclohepta-2,4,6-trien-1-ol.
What is the SMILES notation for 4-(methylaminomethyl)cyclohepta-2,4,6-trien-1-ol?
The canonical SMILES for 4-(methylaminomethyl)cyclohepta-2,4,6-trien-1-ol is CNCC1=CC=CC(O)C=C1.
What is the InChIKey of 4-(methylaminomethyl)cyclohepta-2,4,6-trien-1-ol?
The InChIKey is CDZSQRDPNZQRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-10-7-8-3-2-4-9(11)6-5-8/h2-6,9-11H,7H2,1H3.
What are the key properties of 4-(methylaminomethyl)cyclohepta-2,4,6-trien-1-ol?
4-(methylaminomethyl)cyclohepta-2,4,6-trien-1-ol has a molecular weight of 151.21 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)cyclohepta-2,4,6-trien-1-ol is sourced from PubChem (CID 142206585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).