(2R)-1-N-(2-aminoethyl)-2-N-methyl-3-(oxan-2-yloxy)propane-1,2-diamine

C11H25N3O2 — CID 58591996

IUPAC(2R)-1-N-(2-aminoethyl)-2-N-methyl-3-(oxan-2-yloxy)propane-1,2-diamine
SMILESCN[C@H](CNCCN)COC1CCCCO1
InChIInChI=1S/C11H25N3O2/c1-13-10(8-14-6-5-12)9-16-11-4-2-3-7-15-11/h10-11,13-14H,2-9,12H2,1H3/t10-,11?/m1/s1
InChIKeyMYQZZMWGMUNFKS-NFJWQWPMSA-N
MW231.34 g/mol
LogP-0.33
Rot. Bonds8

About (2R)-1-N-(2-aminoethyl)-2-N-methyl-3-(oxan-2-yloxy)propane-1,2-diamine

(2R)-1-N-(2-aminoethyl)-2-N-methyl-3-(oxan-2-yloxy)propane-1,2-diamine (PubChem CID 58591996) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is (2R)-1-N-(2-aminoethyl)-2-N-methyl-3-(oxan-2-yloxy)propane-1,2-diamine.

Molecular Properties

Compound Name(2R)-1-N-(2-aminoethyl)-2-N-methyl-3-(oxan-2-yloxy)propane-1,2-diamine
PubChem CID58591996
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name(2R)-1-N-(2-aminoethyl)-2-N-methyl-3-(oxan-2-yloxy)propane-1,2-diamine
SMILESCN[C@H](CNCCN)COC1CCCCO1
InChIInChI=1S/C11H25N3O2/c1-13-10(8-14-6-5-12)9-16-11-4-2-3-7-15-11/h10-11,13-14H,2-9,12H2,1H3/t10-,11?/m1/s1
InChIKeyMYQZZMWGMUNFKS-NFJWQWPMSA-N
XLogP-0.33
TPSA68.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-(2-aminoethyl)-2-N-methyl-3-(oxan-2-yloxy)propane-1,2-diamine?
The IUPAC name of (2R)-1-N-(2-aminoethyl)-2-N-methyl-3-(oxan-2-yloxy)propane-1,2-diamine (CID 58591996) is (2R)-1-N-(2-aminoethyl)-2-N-methyl-3-(oxan-2-yloxy)propane-1,2-diamine.
What is the SMILES notation for (2R)-1-N-(2-aminoethyl)-2-N-methyl-3-(oxan-2-yloxy)propane-1,2-diamine?
The canonical SMILES for (2R)-1-N-(2-aminoethyl)-2-N-methyl-3-(oxan-2-yloxy)propane-1,2-diamine is CN[C@H](CNCCN)COC1CCCCO1.
What is the InChIKey of (2R)-1-N-(2-aminoethyl)-2-N-methyl-3-(oxan-2-yloxy)propane-1,2-diamine?
The InChIKey is MYQZZMWGMUNFKS-NFJWQWPMSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-13-10(8-14-6-5-12)9-16-11-4-2-3-7-15-11/h10-11,13-14H,2-9,12H2,1H3/t10-,11?/m1/s1.
What are the key properties of (2R)-1-N-(2-aminoethyl)-2-N-methyl-3-(oxan-2-yloxy)propane-1,2-diamine?
(2R)-1-N-(2-aminoethyl)-2-N-methyl-3-(oxan-2-yloxy)propane-1,2-diamine has a molecular weight of 231.34 g/mol, XLogP of -0.33, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-(2-aminoethyl)-2-N-methyl-3-(oxan-2-yloxy)propane-1,2-diamine is sourced from PubChem (CID 58591996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).