[1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cycloheptyl]methanol

C16H32N2O — CID 79312693

IUPAC[1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cycloheptyl]methanol
SMILESCN(CC1CCCN1C)CC1(CO)CCCCCC1
InChIInChI=1S/C16H32N2O/c1-17(12-15-8-7-11-18(15)2)13-16(14-19)9-5-3-4-6-10-16/h15,19H,3-14H2,1-2H3
InChIKeyXDVKSFGOYRFMQR-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.35
Rot. Bonds5

About [1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cycloheptyl]methanol

[1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cycloheptyl]methanol (PubChem CID 79312693) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is [1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cycloheptyl]methanol.

Molecular Properties

Compound Name[1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cycloheptyl]methanol
PubChem CID79312693
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name[1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cycloheptyl]methanol
SMILESCN(CC1CCCN1C)CC1(CO)CCCCCC1
InChIInChI=1S/C16H32N2O/c1-17(12-15-8-7-11-18(15)2)13-16(14-19)9-5-3-4-6-10-16/h15,19H,3-14H2,1-2H3
InChIKeyXDVKSFGOYRFMQR-UHFFFAOYSA-N
XLogP2.35
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cycloheptyl]methanol 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

[1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexyl]methanol
CID 79312845
N-[[1-(bromomethyl)cyclopentyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
CID 79319455
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
CID 115449103
1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79313273
[1-[[cyclopropylmethyl(methyl)amino]methyl]cyclohexyl]methanol
CID 62272579
[1-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]cyclobutyl]methanol
CID 115247057
N-methyl-1-(1-methylpyrrolidin-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine
CID 79319125
[1-[[cyclohexylmethyl(methyl)amino]methyl]cyclobutyl]methanol
CID 115247051
[1-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclopropyl]methanol
CID 115243609
[1-[[(4-aminocyclohexyl)methyl-methylamino]methyl]cyclopentyl]methanol
CID 56741237
(2R)-1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol
CID 103935244
[1-[[(1-methylpiperidin-2-yl)methylamino]methyl]cyclohexyl]methanol
CID 81419235

Frequently Asked Questions

What is the IUPAC name of [1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cycloheptyl]methanol?
The IUPAC name of [1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cycloheptyl]methanol (CID 79312693) is [1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cycloheptyl]methanol.
What is the SMILES notation for [1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cycloheptyl]methanol?
The canonical SMILES for [1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cycloheptyl]methanol is CN(CC1CCCN1C)CC1(CO)CCCCCC1.
What is the InChIKey of [1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cycloheptyl]methanol?
The InChIKey is XDVKSFGOYRFMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-17(12-15-8-7-11-18(15)2)13-16(14-19)9-5-3-4-6-10-16/h15,19H,3-14H2,1-2H3.
What are the key properties of [1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cycloheptyl]methanol?
[1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cycloheptyl]methanol has a molecular weight of 268.44 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cycloheptyl]methanol is sourced from PubChem (CID 79312693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).