methylamino-[7-methyl-4-(methylamino)cyclohepten-1-yl]methanol

C11H22N2O — CID 163418184

IUPACmethylamino-[7-methyl-4-(methylamino)cyclohepten-1-yl]methanol
SMILESCNC1CC=C(C(O)NC)C(C)CC1
InChIInChI=1S/C11H22N2O/c1-8-4-5-9(12-2)6-7-10(8)11(14)13-3/h7-9,11-14H,4-6H2,1-3H3
InChIKeyAGFHWRYYKYNLAH-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.86
Rot. Bonds3

About methylamino-[7-methyl-4-(methylamino)cyclohepten-1-yl]methanol

methylamino-[7-methyl-4-(methylamino)cyclohepten-1-yl]methanol (PubChem CID 163418184) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is methylamino-[7-methyl-4-(methylamino)cyclohepten-1-yl]methanol.

Molecular Properties

Compound Namemethylamino-[7-methyl-4-(methylamino)cyclohepten-1-yl]methanol
PubChem CID163418184
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Namemethylamino-[7-methyl-4-(methylamino)cyclohepten-1-yl]methanol
SMILESCNC1CC=C(C(O)NC)C(C)CC1
InChIInChI=1S/C11H22N2O/c1-8-4-5-9(12-2)6-7-10(8)11(14)13-3/h7-9,11-14H,4-6H2,1-3H3
InChIKeyAGFHWRYYKYNLAH-UHFFFAOYSA-N
XLogP0.86
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[[(3R)-2,4-dimethylpent-1-en-3-yl]amino]-2-(4-ethylcyclohexen-1-yl)ethanol
CID 68097861
[4-(1,2,3,6-Tetrahydropyridin-4-yl)cyclohexen-1-yl]methanol
CID 68199880
2-Methylidene-5-(1,2,3,6-tetrahydropyridin-4-yl)hexan-1-ol
CID 68213303
Amino-(3-ethylcyclohexen-1-yl)methanol
CID 88980846
(4-But-3-enylcyclohexen-1-yl)-(cyclohexylamino)methanol
CID 89078278
1-[[4-[hydroxy-[[(2S)-2,4,4-trimethyloctyl]amino]methyl]cyclohex-3-en-1-yl]amino]ethanol
CID 118964477
Amino-[4-(1-aminoethyl)cyclohex-3-en-1-yl]methanol
CID 122691909
1-(3,4-Dimethylcyclohexen-1-yl)-1-(methylamino)ethanol
CID 123955518
(R)-methylamino-[4-(methylamino)cyclohexen-1-yl]methanol
CID 141985117
methylamino-[(4S)-2-methyl-4-[[[(2R)-4-methyliodanuidylbutan-2-yl]amino]methyl]cyclohexen-1-yl]methanol
CID 159826981
3-(5-Methylpiperidin-2-yl)cyclohex-2-en-1-ol
CID 164752961
[(4R)-4-(ethylamino)cyclohepten-1-yl]methanol
CID 166839766

Frequently Asked Questions

What is the IUPAC name of methylamino-[7-methyl-4-(methylamino)cyclohepten-1-yl]methanol?
The IUPAC name of methylamino-[7-methyl-4-(methylamino)cyclohepten-1-yl]methanol (CID 163418184) is methylamino-[7-methyl-4-(methylamino)cyclohepten-1-yl]methanol.
What is the SMILES notation for methylamino-[7-methyl-4-(methylamino)cyclohepten-1-yl]methanol?
The canonical SMILES for methylamino-[7-methyl-4-(methylamino)cyclohepten-1-yl]methanol is CNC1CC=C(C(O)NC)C(C)CC1.
What is the InChIKey of methylamino-[7-methyl-4-(methylamino)cyclohepten-1-yl]methanol?
The InChIKey is AGFHWRYYKYNLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8-4-5-9(12-2)6-7-10(8)11(14)13-3/h7-9,11-14H,4-6H2,1-3H3.
What are the key properties of methylamino-[7-methyl-4-(methylamino)cyclohepten-1-yl]methanol?
methylamino-[7-methyl-4-(methylamino)cyclohepten-1-yl]methanol has a molecular weight of 198.31 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino-[7-methyl-4-(methylamino)cyclohepten-1-yl]methanol is sourced from PubChem (CID 163418184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).