(2R)-3-methyl-1-N-[[(2R)-oxolan-2-yl]methyl]butane-1,2-diamine

C10H22N2O — CID 89339942

IUPAC(2R)-3-methyl-1-N-[[(2R)-oxolan-2-yl]methyl]butane-1,2-diamine
SMILESCC(C)[C@@H](N)CNC[C@H]1CCCO1
InChIInChI=1S/C10H22N2O/c1-8(2)10(11)7-12-6-9-4-3-5-13-9/h8-10,12H,3-7,11H2,1-2H3/t9-,10+/m1/s1
InChIKeyCKLLWCTYGJQPJF-ZJUUUORDSA-N
MW186.30 g/mol
LogP0.74
Rot. Bonds5

About (2R)-3-methyl-1-N-[[(2R)-oxolan-2-yl]methyl]butane-1,2-diamine

(2R)-3-methyl-1-N-[[(2R)-oxolan-2-yl]methyl]butane-1,2-diamine (PubChem CID 89339942) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is (2R)-3-methyl-1-N-[[(2R)-oxolan-2-yl]methyl]butane-1,2-diamine.

Molecular Properties

Compound Name(2R)-3-methyl-1-N-[[(2R)-oxolan-2-yl]methyl]butane-1,2-diamine
PubChem CID89339942
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name(2R)-3-methyl-1-N-[[(2R)-oxolan-2-yl]methyl]butane-1,2-diamine
SMILESCC(C)[C@@H](N)CNC[C@H]1CCCO1
InChIInChI=1S/C10H22N2O/c1-8(2)10(11)7-12-6-9-4-3-5-13-9/h8-10,12H,3-7,11H2,1-2H3/t9-,10+/m1/s1
InChIKeyCKLLWCTYGJQPJF-ZJUUUORDSA-N
XLogP0.74
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-1-N-[[(2R)-oxolan-2-yl]methyl]butane-1,2-diamine?
The IUPAC name of (2R)-3-methyl-1-N-[[(2R)-oxolan-2-yl]methyl]butane-1,2-diamine (CID 89339942) is (2R)-3-methyl-1-N-[[(2R)-oxolan-2-yl]methyl]butane-1,2-diamine.
What is the SMILES notation for (2R)-3-methyl-1-N-[[(2R)-oxolan-2-yl]methyl]butane-1,2-diamine?
The canonical SMILES for (2R)-3-methyl-1-N-[[(2R)-oxolan-2-yl]methyl]butane-1,2-diamine is CC(C)[C@@H](N)CNC[C@H]1CCCO1.
What is the InChIKey of (2R)-3-methyl-1-N-[[(2R)-oxolan-2-yl]methyl]butane-1,2-diamine?
The InChIKey is CKLLWCTYGJQPJF-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H22N2O/c1-8(2)10(11)7-12-6-9-4-3-5-13-9/h8-10,12H,3-7,11H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of (2R)-3-methyl-1-N-[[(2R)-oxolan-2-yl]methyl]butane-1,2-diamine?
(2R)-3-methyl-1-N-[[(2R)-oxolan-2-yl]methyl]butane-1,2-diamine has a molecular weight of 186.30 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-1-N-[[(2R)-oxolan-2-yl]methyl]butane-1,2-diamine is sourced from PubChem (CID 89339942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).