[2-[[8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]cyclopropyl]methanol

C12H23N3O — CID 170290770

IUPAC[2-[[8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]cyclopropyl]methanol
SMILESCNN1C2CCC1CN(CC1CC1CO)C2
InChIInChI=1S/C12H23N3O/c1-13-15-11-2-3-12(15)7-14(6-11)5-9-4-10(9)8-16/h9-13,16H,2-8H2,1H3
InChIKeyJNTNEHRCLJNSEG-UHFFFAOYSA-N
MW225.34 g/mol
LogP-0.10
Rot. Bonds4

About [2-[[8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]cyclopropyl]methanol

[2-[[8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]cyclopropyl]methanol (PubChem CID 170290770) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is [2-[[8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[2-[[8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]cyclopropyl]methanol
PubChem CID170290770
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name[2-[[8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]cyclopropyl]methanol
SMILESCNN1C2CCC1CN(CC1CC1CO)C2
InChIInChI=1S/C12H23N3O/c1-13-15-11-2-3-12(15)7-14(6-11)5-9-4-10(9)8-16/h9-13,16H,2-8H2,1H3
InChIKeyJNTNEHRCLJNSEG-UHFFFAOYSA-N
XLogP-0.10
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[[8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]cyclopropyl]methanol with MolForge

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Related Compounds

N,N-dimethyl-3-[8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]propanamide
CID 170290766
[(2S)-2-(hydroxymethyl)cyclopropyl]methanol
CID 67842260
2-[[3-amino-2-[[8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]prop-2-enylidene]amino]ethanol
CID 174138885
[2-[(3-propan-2-ylazetidin-1-yl)methyl]cyclohexyl]methanol
CID 104550225
[1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-yl]methanol
CID 112629018
4-(hydroxymethyl)-6-(methylamino)cyclohexane-1,2,3-triol
CID 59945574
[1-iodo-4-(methylamino)pyrrolidin-3-yl]methanol
CID 130225749
[(1R,2S)-2-[(4-methylpiperazin-1-yl)methyl]cyclobutyl]methanol
CID 141428112
(2R)-2-(hydroxymethyl)-4-(methylamino)cyclopentan-1-ol
CID 59891072
[(1S)-2-(methylamino)cyclopentyl]methanol
CID 123545278
8-[[2-(methylamino)cyclopentyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63769279
[6,6-dimethyl-4-[[5-methyl-2-(methylamino)cyclohexyl]methyl]morpholin-2-yl]methanol
CID 114780317

Frequently Asked Questions

What is the IUPAC name of [2-[[8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]cyclopropyl]methanol?
The IUPAC name of [2-[[8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]cyclopropyl]methanol (CID 170290770) is [2-[[8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]cyclopropyl]methanol.
What is the SMILES notation for [2-[[8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]cyclopropyl]methanol?
The canonical SMILES for [2-[[8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]cyclopropyl]methanol is CNN1C2CCC1CN(CC1CC1CO)C2.
What is the InChIKey of [2-[[8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]cyclopropyl]methanol?
The InChIKey is JNTNEHRCLJNSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-13-15-11-2-3-12(15)7-14(6-11)5-9-4-10(9)8-16/h9-13,16H,2-8H2,1H3.
What are the key properties of [2-[[8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]cyclopropyl]methanol?
[2-[[8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]cyclopropyl]methanol has a molecular weight of 225.34 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]cyclopropyl]methanol is sourced from PubChem (CID 170290770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).