N-[[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methyl]-N-methylpropan-2-amine

C10H22N2O — CID 94435022

IUPACN-[[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)C[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C10H22N2O/c1-8(2)12(3)7-10-5-4-9(6-11)13-10/h8-10H,4-7,11H2,1-3H3/t9-,10+/m1/s1
InChIKeyCLQCBJYFRWPXGY-ZJUUUORDSA-N
MW186.30 g/mol
LogP0.83
Rot. Bonds4

About N-[[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methyl]-N-methylpropan-2-amine

N-[[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methyl]-N-methylpropan-2-amine (PubChem CID 94435022) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N-[[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methyl]-N-methylpropan-2-amine
PubChem CID94435022
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN-[[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)C[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C10H22N2O/c1-8(2)12(3)7-10-5-4-9(6-11)13-10/h8-10H,4-7,11H2,1-3H3/t9-,10+/m1/s1
InChIKeyCLQCBJYFRWPXGY-ZJUUUORDSA-N
XLogP0.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-methylbutan-2-amine
CID 62419353
N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N,2-dimethylbutan-2-amine
CID 63965016
N'-[[5-(aminomethyl)oxolan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62436892
(2S,5R)-5-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]oxolane-2-carboxamide;dihydrochloride
CID 120799727
(2R,5R)-5-(aminomethyl)-N,N-dimethyloxolane-2-carboxamide
CID 97050721
N-(1,3-dioxan-4-ylmethyl)-N-methylpropan-2-amine
CID 130677377
5-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyloxolane-2-carboxamide
CID 104551738
2-[(2R,5S)-5-(aminomethyl)oxolan-2-yl]ethanamine
CID 142994239
[(2R,5R)-5-methyloxolan-2-yl]methanamine
CID 124512926
(2S,5R)-5-(aminomethyl)-N-cyclopentyl-N-propan-2-yloxolane-2-carboxamide
CID 120787762
N-[[5-[[methyl(3-methylbutan-2-yl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62432122
N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 62419587

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methyl]-N-methylpropan-2-amine?
The IUPAC name of N-[[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methyl]-N-methylpropan-2-amine (CID 94435022) is N-[[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methyl]-N-methylpropan-2-amine is CC(C)N(C)C[C@@H]1CC[C@H](CN)O1.
What is the InChIKey of N-[[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methyl]-N-methylpropan-2-amine?
The InChIKey is CLQCBJYFRWPXGY-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H22N2O/c1-8(2)12(3)7-10-5-4-9(6-11)13-10/h8-10H,4-7,11H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of N-[[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methyl]-N-methylpropan-2-amine?
N-[[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methyl]-N-methylpropan-2-amine has a molecular weight of 186.30 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methyl]-N-methylpropan-2-amine is sourced from PubChem (CID 94435022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).