[2-[[3-(aminomethyl)oxolan-3-yl]amino]cyclohexyl]methanol

C12H24N2O2 — CID 106360446

IUPAC[2-[[3-(aminomethyl)oxolan-3-yl]amino]cyclohexyl]methanol
SMILESNCC1(NC2CCCCC2CO)CCOC1
InChIInChI=1S/C12H24N2O2/c13-8-12(5-6-16-9-12)14-11-4-2-1-3-10(11)7-15/h10-11,14-15H,1-9,13H2
InChIKeyCCZVICXWRSILIY-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.24
Rot. Bonds4

About [2-[[3-(aminomethyl)oxolan-3-yl]amino]cyclohexyl]methanol

[2-[[3-(aminomethyl)oxolan-3-yl]amino]cyclohexyl]methanol (PubChem CID 106360446) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is [2-[[3-(aminomethyl)oxolan-3-yl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[[3-(aminomethyl)oxolan-3-yl]amino]cyclohexyl]methanol
PubChem CID106360446
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name[2-[[3-(aminomethyl)oxolan-3-yl]amino]cyclohexyl]methanol
SMILESNCC1(NC2CCCCC2CO)CCOC1
InChIInChI=1S/C12H24N2O2/c13-8-12(5-6-16-9-12)14-11-4-2-1-3-10(11)7-15/h10-11,14-15H,1-9,13H2
InChIKeyCCZVICXWRSILIY-UHFFFAOYSA-N
XLogP0.24
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[1-(aminomethyl)-4,4-dimethylcyclohexyl]amino]cyclohexyl]methanol
CID 106360313
3-(aminomethyl)-N-cyclohexyloxolan-3-amine
CID 65385376
[2-[[1-(aminomethyl)-3-cyclopropylcyclohexyl]amino]cyclohexyl]methanol
CID 106360376
[2-[[1-(aminomethyl)-3,5-dimethylcyclohexyl]amino]cyclopentyl]methanol
CID 106359954
[2-[[4-(aminomethyl)-1-(2-methylpropyl)piperidin-4-yl]amino]cyclohexyl]methanol
CID 106360413
[2-[[4-(aminomethyl)-1-propan-2-ylpiperidin-4-yl]amino]cyclopentyl]methanol
CID 106359944
[2-[[7-(aminomethyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-yl]amino]cyclopentyl]methanol
CID 106360020
trans-(1R,2R)-2-[[4-(hydroxymethyl)oxan-4-yl]amino]cyclohexan-1-ol
CID 106298082
[2-[[1-(aminomethyl)-2-ethylcyclopentyl]amino]cyclohexyl]methanol
CID 114178587
3-(aminomethyl)-N-(3,3-dimethylcyclopentyl)oxolan-3-amine
CID 114544816
[2-[[3-(aminomethyl)-2-methylthiolan-3-yl]amino]cyclohexyl]methanol
CID 114178599
2-[[3-(aminomethyl)oxolan-3-yl]amino]ethanol;ethane
CID 144870956

Frequently Asked Questions

What is the IUPAC name of [2-[[3-(aminomethyl)oxolan-3-yl]amino]cyclohexyl]methanol?
The IUPAC name of [2-[[3-(aminomethyl)oxolan-3-yl]amino]cyclohexyl]methanol (CID 106360446) is [2-[[3-(aminomethyl)oxolan-3-yl]amino]cyclohexyl]methanol.
What is the SMILES notation for [2-[[3-(aminomethyl)oxolan-3-yl]amino]cyclohexyl]methanol?
The canonical SMILES for [2-[[3-(aminomethyl)oxolan-3-yl]amino]cyclohexyl]methanol is NCC1(NC2CCCCC2CO)CCOC1.
What is the InChIKey of [2-[[3-(aminomethyl)oxolan-3-yl]amino]cyclohexyl]methanol?
The InChIKey is CCZVICXWRSILIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c13-8-12(5-6-16-9-12)14-11-4-2-1-3-10(11)7-15/h10-11,14-15H,1-9,13H2.
What are the key properties of [2-[[3-(aminomethyl)oxolan-3-yl]amino]cyclohexyl]methanol?
[2-[[3-(aminomethyl)oxolan-3-yl]amino]cyclohexyl]methanol has a molecular weight of 228.34 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-(aminomethyl)oxolan-3-yl]amino]cyclohexyl]methanol is sourced from PubChem (CID 106360446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).