(2R,3R)-2-(aminomethyl)-N,N-diethyloxolan-3-amine

C9H20N2O — CID 165491409

IUPAC(2R,3R)-2-(aminomethyl)-N,N-diethyloxolan-3-amine
SMILESCCN(CC)[C@@H]1CCO[C@@H]1CN
InChIInChI=1S/C9H20N2O/c1-3-11(4-2)8-5-6-12-9(8)7-10/h8-9H,3-7,10H2,1-2H3/t8-,9-/m1/s1
InChIKeyYXZWVIJMTHGKIS-RKDXNWHRSA-N
MW172.27 g/mol
LogP0.44
Rot. Bonds4

About (2R,3R)-2-(aminomethyl)-N,N-diethyloxolan-3-amine

(2R,3R)-2-(aminomethyl)-N,N-diethyloxolan-3-amine (PubChem CID 165491409) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (2R,3R)-2-(aminomethyl)-N,N-diethyloxolan-3-amine.

Molecular Properties

Compound Name(2R,3R)-2-(aminomethyl)-N,N-diethyloxolan-3-amine
PubChem CID165491409
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(2R,3R)-2-(aminomethyl)-N,N-diethyloxolan-3-amine
SMILESCCN(CC)[C@@H]1CCO[C@@H]1CN
InChIInChI=1S/C9H20N2O/c1-3-11(4-2)8-5-6-12-9(8)7-10/h8-9H,3-7,10H2,1-2H3/t8-,9-/m1/s1
InChIKeyYXZWVIJMTHGKIS-RKDXNWHRSA-N
XLogP0.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,3S)-3-methyloxolan-2-yl]methanamine;hydrochloride
CID 171921112
(2-propyloxolan-3-yl)methanamine
CID 79368036
N,N-diethyl-1,3-dioxolan-2-amine
CID 12660881
(2S,3S)-2-ethyloxolan-3-amine
CID 124511863
7-N,7-N-diethyl-2-oxabicyclo[3.2.0]heptane-6,7-diamine
CID 79677956
2-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylcyclobutan-1-amine
CID 81004788
3-[ethyl-(2-methyloxolan-3-yl)amino]-2-methylpropanoic acid
CID 82718981
N'-ethyl-N'-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine
CID 79898283
2-ethyl-2-N-methyl-2-N-(2-methyloxolan-3-yl)butane-1,2-diamine
CID 82735147
2-N,2-dimethyl-2-N-(2-methyloxolan-3-yl)butane-1,2-diamine
CID 82734224
2-(aminomethyl)-5-tert-butyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 61433986
trans-(1R,2R)-N,N-diethyl-2-methylcyclohexan-1-amine
CID 15852265

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(aminomethyl)-N,N-diethyloxolan-3-amine?
The IUPAC name of (2R,3R)-2-(aminomethyl)-N,N-diethyloxolan-3-amine (CID 165491409) is (2R,3R)-2-(aminomethyl)-N,N-diethyloxolan-3-amine.
What is the SMILES notation for (2R,3R)-2-(aminomethyl)-N,N-diethyloxolan-3-amine?
The canonical SMILES for (2R,3R)-2-(aminomethyl)-N,N-diethyloxolan-3-amine is CCN(CC)[C@@H]1CCO[C@@H]1CN.
What is the InChIKey of (2R,3R)-2-(aminomethyl)-N,N-diethyloxolan-3-amine?
The InChIKey is YXZWVIJMTHGKIS-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H20N2O/c1-3-11(4-2)8-5-6-12-9(8)7-10/h8-9H,3-7,10H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (2R,3R)-2-(aminomethyl)-N,N-diethyloxolan-3-amine?
(2R,3R)-2-(aminomethyl)-N,N-diethyloxolan-3-amine has a molecular weight of 172.27 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(aminomethyl)-N,N-diethyloxolan-3-amine is sourced from PubChem (CID 165491409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).