2-N-ethyl-3-methoxy-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine

C12H28N2O — CID 107505355

IUPAC2-N-ethyl-3-methoxy-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine
SMILESCCCN(CC(COC)NCC)C(C)C
InChIInChI=1S/C12H28N2O/c1-6-8-14(11(3)4)9-12(10-15-5)13-7-2/h11-13H,6-10H2,1-5H3
InChIKeyQRTNILDZMDQCGV-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.73
Rot. Bonds9

About 2-N-ethyl-3-methoxy-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine

2-N-ethyl-3-methoxy-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine (PubChem CID 107505355) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 2-N-ethyl-3-methoxy-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-3-methoxy-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine
PubChem CID107505355
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name2-N-ethyl-3-methoxy-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine
SMILESCCCN(CC(COC)NCC)C(C)C
InChIInChI=1S/C12H28N2O/c1-6-8-14(11(3)4)9-12(10-15-5)13-7-2/h11-13H,6-10H2,1-5H3
InChIKeyQRTNILDZMDQCGV-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 107505563
3-methoxy-2-methyl-N-propan-2-yl-N-propylpropan-1-amine
CID 144977242
3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-yl-2-N-propylpropane-1,2-diamine
CID 107505564
3-methoxy-2-N-methyl-1-N-pentyl-1-N-propan-2-ylpropane-1,2-diamine
CID 107505554
2-N-ethyl-3-methoxy-1-N-(3-methoxypropyl)-1-N-methylpropane-1,2-diamine
CID 107505693
3-(ethylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol
CID 64900116
N-ethyl-1-methoxy-4-(3-methylbutoxy)butan-2-amine
CID 115001748
N-ethyl-1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-amine
CID 107506869
2-(ethylamino)-4-[ethyl(1-methoxypropan-2-yl)amino]butan-1-ol
CID 64828303
2-N-ethyl-1-N,1-N-bis(2-methoxyethyl)pentane-1,2-diamine
CID 62043594
1-N-(2-methoxyethyl)-2-N,3-dimethyl-1-N-propan-2-ylpentane-1,2-diamine
CID 82948133
N-ethyl-1-methoxydecan-2-amine
CID 62320563

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-3-methoxy-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine?
The IUPAC name of 2-N-ethyl-3-methoxy-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine (CID 107505355) is 2-N-ethyl-3-methoxy-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-3-methoxy-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-3-methoxy-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine is CCCN(CC(COC)NCC)C(C)C.
What is the InChIKey of 2-N-ethyl-3-methoxy-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine?
The InChIKey is QRTNILDZMDQCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-6-8-14(11(3)4)9-12(10-15-5)13-7-2/h11-13H,6-10H2,1-5H3.
What are the key properties of 2-N-ethyl-3-methoxy-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine?
2-N-ethyl-3-methoxy-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.73, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-3-methoxy-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine is sourced from PubChem (CID 107505355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).