(2R)-2-N-[(3-methyloxolan-2-yl)methyl]propane-1,2-diamine

C9H20N2O — CID 104868012

IUPAC(2R)-2-N-[(3-methyloxolan-2-yl)methyl]propane-1,2-diamine
SMILESCC1CCOC1CN[C@H](C)CN
InChIInChI=1S/C9H20N2O/c1-7-3-4-12-9(7)6-11-8(2)5-10/h7-9,11H,3-6,10H2,1-2H3/t7?,8-,9?/m1/s1
InChIKeyGRHJDJGNMFSDEF-QJAFJHJLSA-N
MW172.27 g/mol
LogP0.35
Rot. Bonds4

About (2R)-2-N-[(3-methyloxolan-2-yl)methyl]propane-1,2-diamine

(2R)-2-N-[(3-methyloxolan-2-yl)methyl]propane-1,2-diamine (PubChem CID 104868012) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (2R)-2-N-[(3-methyloxolan-2-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name(2R)-2-N-[(3-methyloxolan-2-yl)methyl]propane-1,2-diamine
PubChem CID104868012
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(2R)-2-N-[(3-methyloxolan-2-yl)methyl]propane-1,2-diamine
SMILESCC1CCOC1CN[C@H](C)CN
InChIInChI=1S/C9H20N2O/c1-7-3-4-12-9(7)6-11-8(2)5-10/h7-9,11H,3-6,10H2,1-2H3/t7?,8-,9?/m1/s1
InChIKeyGRHJDJGNMFSDEF-QJAFJHJLSA-N
XLogP0.35
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine
CID 104867499
[(2R,3S)-3-methyloxolan-2-yl]methanamine;hydrochloride
CID 171921112
(2S)-2-N-(7-bicyclo[4.1.0]heptanylmethyl)propane-1,2-diamine
CID 104867892
2-N-[(4-ethylcyclohexyl)methyl]propane-1,2-diamine
CID 103389347
(2R,3S)-2-(bromomethyl)-3-methyloxolane
CID 155905802
2-N-(thian-4-ylmethyl)propane-1,2-diamine
CID 103391033
(2S)-2-N-[(4,4-difluorocyclohexyl)methyl]propane-1,2-diamine
CID 104867709
N-[(2-methyloxolan-3-yl)methyl]butan-2-amine
CID 79760229
(2S)-2-N-[(2,2-dichlorocyclopropyl)methyl]propane-1,2-diamine
CID 104867595
2-[(2R,3R)-3-methyloxolan-2-yl]ethanol
CID 134950887
(2R)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine
CID 104868334
2-N-[[4-[(2-aminopropylamino)methyl]cyclohexyl]methyl]propane-1,2-diamine
CID 118876014

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-[(3-methyloxolan-2-yl)methyl]propane-1,2-diamine?
The IUPAC name of (2R)-2-N-[(3-methyloxolan-2-yl)methyl]propane-1,2-diamine (CID 104868012) is (2R)-2-N-[(3-methyloxolan-2-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for (2R)-2-N-[(3-methyloxolan-2-yl)methyl]propane-1,2-diamine?
The canonical SMILES for (2R)-2-N-[(3-methyloxolan-2-yl)methyl]propane-1,2-diamine is CC1CCOC1CN[C@H](C)CN.
What is the InChIKey of (2R)-2-N-[(3-methyloxolan-2-yl)methyl]propane-1,2-diamine?
The InChIKey is GRHJDJGNMFSDEF-QJAFJHJLSA-N. The full InChI is InChI=1S/C9H20N2O/c1-7-3-4-12-9(7)6-11-8(2)5-10/h7-9,11H,3-6,10H2,1-2H3/t7?,8-,9?/m1/s1.
What are the key properties of (2R)-2-N-[(3-methyloxolan-2-yl)methyl]propane-1,2-diamine?
(2R)-2-N-[(3-methyloxolan-2-yl)methyl]propane-1,2-diamine has a molecular weight of 172.27 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-[(3-methyloxolan-2-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 104868012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).