[1-[2-(aminomethyl)cycloheptyl]-3-methylpyrrolidin-2-yl]methanol

C14H28N2O — CID 102778150

IUPAC[1-[2-(aminomethyl)cycloheptyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(C2CCCCCC2CN)C1CO
InChIInChI=1S/C14H28N2O/c1-11-7-8-16(14(11)10-17)13-6-4-2-3-5-12(13)9-15/h11-14,17H,2-10,15H2,1H3
InChIKeyAEJAWHZSSNNEKZ-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.60
Rot. Bonds3

About [1-[2-(aminomethyl)cycloheptyl]-3-methylpyrrolidin-2-yl]methanol

[1-[2-(aminomethyl)cycloheptyl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102778150) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is [1-[2-(aminomethyl)cycloheptyl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-(aminomethyl)cycloheptyl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID102778150
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name[1-[2-(aminomethyl)cycloheptyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(C2CCCCCC2CN)C1CO
InChIInChI=1S/C14H28N2O/c1-11-7-8-16(14(11)10-17)13-6-4-2-3-5-12(13)9-15/h11-14,17H,2-10,15H2,1H3
InChIKeyAEJAWHZSSNNEKZ-UHFFFAOYSA-N
XLogP1.60
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-methylazetidin-1-yl)cyclohexyl]methanamine
CID 79677584
(1-cyclopentyl-3-methylpyrrolidin-2-yl)methanol
CID 102788516
[1-[2-(aminomethyl)cyclohexyl]pyrrolidin-2-yl]methanol
CID 61407519
[2-(4-methoxy-2-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 114220788
methyl 1-[2-(aminomethyl)cycloheptyl]pyrrolidine-2-carboxylate
CID 63382875
[1-(1-amino-2-methylpropan-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102777698
2-[1-[2-(aminomethyl)cycloheptyl]piperidin-4-yl]oxyethanol
CID 82696663
[2-(2,3,5-trimethylpiperidin-1-yl)cyclohexyl]methanamine
CID 114592320
(2-methylcyclodecyl)methanamine
CID 163635360
[2-(3-methylazetidin-1-yl)cycloheptyl]methanamine
CID 164661715
[1-(azetidin-3-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102789766
[2-(azepan-1-yl)cyclopentyl]methanamine
CID 43293383

Frequently Asked Questions

What is the IUPAC name of [1-[2-(aminomethyl)cycloheptyl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[2-(aminomethyl)cycloheptyl]-3-methylpyrrolidin-2-yl]methanol (CID 102778150) is [1-[2-(aminomethyl)cycloheptyl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[2-(aminomethyl)cycloheptyl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[2-(aminomethyl)cycloheptyl]-3-methylpyrrolidin-2-yl]methanol is CC1CCN(C2CCCCCC2CN)C1CO.
What is the InChIKey of [1-[2-(aminomethyl)cycloheptyl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is AEJAWHZSSNNEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11-7-8-16(14(11)10-17)13-6-4-2-3-5-12(13)9-15/h11-14,17H,2-10,15H2,1H3.
What are the key properties of [1-[2-(aminomethyl)cycloheptyl]-3-methylpyrrolidin-2-yl]methanol?
[1-[2-(aminomethyl)cycloheptyl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 240.39 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(aminomethyl)cycloheptyl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102778150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).