[1-[[1-(aminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]methanol

C14H28N2O — CID 112629002

IUPAC[1-[[1-(aminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]methanol
SMILESNCC1(CN2CCC(CO)C2)CCCCCC1
InChIInChI=1S/C14H28N2O/c15-11-14(6-3-1-2-4-7-14)12-16-8-5-13(9-16)10-17/h13,17H,1-12,15H2
InChIKeyHPSMLTHCHCKEIJ-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.60
Rot. Bonds4

About [1-[[1-(aminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]methanol

[1-[[1-(aminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]methanol (PubChem CID 112629002) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is [1-[[1-(aminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[[1-(aminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]methanol
PubChem CID112629002
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name[1-[[1-(aminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]methanol
SMILESNCC1(CN2CCC(CO)C2)CCCCCC1
InChIInChI=1S/C14H28N2O/c15-11-14(6-3-1-2-4-7-14)12-16-8-5-13(9-16)10-17/h13,17H,1-12,15H2
InChIKeyHPSMLTHCHCKEIJ-UHFFFAOYSA-N
XLogP1.60
TPSA49.49 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 ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[[1-(aminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]methanol with MolForge

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Related Compounds

[1-[[1-(hydroxymethyl)cyclopentyl]methyl]pyrrolidin-3-yl]methanol
CID 112629225
[1-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidin-3-yl]methanol
CID 112628015
[1-[(3-propylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine
CID 113417909
[1-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]pyrrolidin-3-yl]methanol
CID 112628956
[1-[(3-ethylpiperidin-1-yl)methyl]cyclohexyl]methanamine
CID 62257531
[1-[[1-(bromomethyl)cyclopropyl]methyl]pyrrolidin-3-yl]methanol
CID 112628030
[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentyl]methanamine
CID 63168694
[1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexyl]methanamine
CID 79170228
1-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]cycloheptane-1-carbaldehyde
CID 112628845
2-[1-(aminomethyl)cyclohexyl]-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 113440211
[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanamine
CID 115453905
2-[[1-(aminomethyl)cyclohexyl]methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81115792

Frequently Asked Questions

What is the IUPAC name of [1-[[1-(aminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[[1-(aminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]methanol (CID 112629002) is [1-[[1-(aminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[[1-(aminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[[1-(aminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]methanol is NCC1(CN2CCC(CO)C2)CCCCCC1.
What is the InChIKey of [1-[[1-(aminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]methanol?
The InChIKey is HPSMLTHCHCKEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c15-11-14(6-3-1-2-4-7-14)12-16-8-5-13(9-16)10-17/h13,17H,1-12,15H2.
What are the key properties of [1-[[1-(aminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]methanol?
[1-[[1-(aminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]methanol has a molecular weight of 240.39 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(aminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 112629002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).