2-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-ylpropane-1,2-diamine

C13H30N2O — CID 107505563

IUPAC2-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-ylpropane-1,2-diamine
SMILESCCNC(COC)CN(CC(C)C)C(C)C
InChIInChI=1S/C13H30N2O/c1-7-14-13(10-16-6)9-15(12(4)5)8-11(2)3/h11-14H,7-10H2,1-6H3
InChIKeyDPHMKICXZDRJDX-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.98
Rot. Bonds9

About 2-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-ylpropane-1,2-diamine

2-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-ylpropane-1,2-diamine (PubChem CID 107505563) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 2-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-ylpropane-1,2-diamine
PubChem CID107505563
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name2-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-ylpropane-1,2-diamine
SMILESCCNC(COC)CN(CC(C)C)C(C)C
InChIInChI=1S/C13H30N2O/c1-7-14-13(10-16-6)9-15(12(4)5)8-11(2)3/h11-14H,7-10H2,1-6H3
InChIKeyDPHMKICXZDRJDX-UHFFFAOYSA-N
XLogP1.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-yl-2-N-propylpropane-1,2-diamine
CID 107505564
2-N-ethyl-3-methoxy-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine
CID 107505355
N-ethyl-1-methoxy-4-(3-methylbutoxy)butan-2-amine
CID 115001748
2-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylbutane-1,2-diamine
CID 79483866
2-N-ethyl-3-methoxy-1-N-(3-methoxypropyl)-1-N-methylpropane-1,2-diamine
CID 107505693
2-N-methyl-1-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,2-diamine
CID 62039501
3-methoxy-1-N-methyl-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine
CID 107505365
N-ethyl-1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-amine
CID 107506869
1-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine
CID 107505371
3-methoxy-2-N-methyl-1-N-pentyl-1-N-propan-2-ylpropane-1,2-diamine
CID 107505554
1-N-[2-(dimethylamino)ethyl]-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine
CID 107505592
2-(ethylamino)-4-[ethyl(1-methoxypropan-2-yl)amino]butan-1-ol
CID 64828303

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-ylpropane-1,2-diamine?
The IUPAC name of 2-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-ylpropane-1,2-diamine (CID 107505563) is 2-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-ylpropane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-ylpropane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-ylpropane-1,2-diamine is CCNC(COC)CN(CC(C)C)C(C)C.
What is the InChIKey of 2-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-ylpropane-1,2-diamine?
The InChIKey is DPHMKICXZDRJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-7-14-13(10-16-6)9-15(12(4)5)8-11(2)3/h11-14H,7-10H2,1-6H3.
What are the key properties of 2-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-ylpropane-1,2-diamine?
2-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-ylpropane-1,2-diamine has a molecular weight of 230.40 g/mol, XLogP of 1.98, 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-(2-methylpropyl)-1-N-propan-2-ylpropane-1,2-diamine is sourced from PubChem (CID 107505563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).