1-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]cycloheptan-1-ol

C14H28N2O — CID 54937597

IUPAC1-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]cycloheptan-1-ol
SMILESCN1CCC(CNCC2(O)CCCCCC2)C1
InChIInChI=1S/C14H28N2O/c1-16-9-6-13(11-16)10-15-12-14(17)7-4-2-3-5-8-14/h13,15,17H,2-12H2,1H3
InChIKeyMBIOBTVCXFTHJE-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.61
Rot. Bonds4

About 1-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]cycloheptan-1-ol

1-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]cycloheptan-1-ol (PubChem CID 54937597) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]cycloheptan-1-ol
PubChem CID54937597
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]cycloheptan-1-ol
SMILESCN1CCC(CNCC2(O)CCCCCC2)C1
InChIInChI=1S/C14H28N2O/c1-16-9-6-13(11-16)10-15-12-14(17)7-4-2-3-5-8-14/h13,15,17H,2-12H2,1H3
InChIKeyMBIOBTVCXFTHJE-UHFFFAOYSA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-ol
CID 115073598
1-[(cyclohexylmethylamino)methyl]cyclopentan-1-ol
CID 65107001
1-[[(4-ethylcyclohexyl)methylamino]methyl]cycloheptan-1-ol
CID 63490303
N,N-dimethyl-1-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclohexan-1-amine
CID 62654686
1-[[(1-methylpiperidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 60910236
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
[1-[[(1-methylpiperidin-3-yl)methylamino]methyl]cyclopentyl]methanol
CID 113293535
1-[[(1-methylazepan-4-yl)amino]methyl]cycloheptan-1-ol
CID 65123148
1-(1-methylpyrrolidin-3-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)methanamine
CID 102896883
1-[(thiolan-3-ylmethylamino)methyl]cycloheptan-1-ol
CID 107132168
1-amino-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide
CID 95228987
1-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 61206220

Frequently Asked Questions

What is the IUPAC name of 1-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]cycloheptan-1-ol (CID 54937597) is 1-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]cycloheptan-1-ol is CN1CCC(CNCC2(O)CCCCCC2)C1.
What is the InChIKey of 1-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]cycloheptan-1-ol?
The InChIKey is MBIOBTVCXFTHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-16-9-6-13(11-16)10-15-12-14(17)7-4-2-3-5-8-14/h13,15,17H,2-12H2,1H3.
What are the key properties of 1-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]cycloheptan-1-ol?
1-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]cycloheptan-1-ol has a molecular weight of 240.39 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 54937597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).