1-N,1-N-diethyl-2-N-(3-methoxybutan-2-yl)propane-1,2-diamine

C12H28N2O — CID 115716950

IUPAC1-N,1-N-diethyl-2-N-(3-methoxybutan-2-yl)propane-1,2-diamine
SMILESCCN(CC)CC(C)NC(C)C(C)OC
InChIInChI=1S/C12H28N2O/c1-7-14(8-2)9-10(3)13-11(4)12(5)15-6/h10-13H,7-9H2,1-6H3
InChIKeyDSMARMVEDXCMDB-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.73
Rot. Bonds8

About 1-N,1-N-diethyl-2-N-(3-methoxybutan-2-yl)propane-1,2-diamine

1-N,1-N-diethyl-2-N-(3-methoxybutan-2-yl)propane-1,2-diamine (PubChem CID 115716950) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-N,1-N-diethyl-2-N-(3-methoxybutan-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-2-N-(3-methoxybutan-2-yl)propane-1,2-diamine
PubChem CID115716950
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name1-N,1-N-diethyl-2-N-(3-methoxybutan-2-yl)propane-1,2-diamine
SMILESCCN(CC)CC(C)NC(C)C(C)OC
InChIInChI=1S/C12H28N2O/c1-7-14(8-2)9-10(3)13-11(4)12(5)15-6/h10-13H,7-9H2,1-6H3
InChIKeyDSMARMVEDXCMDB-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

Analyze 1-N,1-N-diethyl-2-N-(3-methoxybutan-2-yl)propane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-3-methoxybutan-2-amine
CID 115705720
N,N-diethyl-2-hydrazinylpropan-1-amine
CID 55279029
2-N-(3-methoxybutan-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 115711323
1-N,1-N-diethyl-2-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propane-1,2-diamine
CID 104562116
N,N-diethyl-2,2-dimethoxyethanamine
CID 21281611
3-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)butan-2-amine
CID 115919081
4-[1-(diethylamino)propan-2-ylamino]pentan-1-ol
CID 115971833
2-N-tert-butyl-1-N,1-N-diethylpropane-1,2-diamine
CID 126758240
(2S)-1-[1-(diethylamino)propan-2-ylamino]propan-2-ol
CID 106932045
1-N-(aminomethyl)-1-N-ethyl-2-N-propan-2-ylpropane-1,2-diamine
CID 166961536
N-(3-methoxybutan-2-yl)-3-methylpentan-3-amine
CID 115920365
N-(3-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904336

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-2-N-(3-methoxybutan-2-yl)propane-1,2-diamine?
The IUPAC name of 1-N,1-N-diethyl-2-N-(3-methoxybutan-2-yl)propane-1,2-diamine (CID 115716950) is 1-N,1-N-diethyl-2-N-(3-methoxybutan-2-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-2-N-(3-methoxybutan-2-yl)propane-1,2-diamine?
The canonical SMILES for 1-N,1-N-diethyl-2-N-(3-methoxybutan-2-yl)propane-1,2-diamine is CCN(CC)CC(C)NC(C)C(C)OC.
What is the InChIKey of 1-N,1-N-diethyl-2-N-(3-methoxybutan-2-yl)propane-1,2-diamine?
The InChIKey is DSMARMVEDXCMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-7-14(8-2)9-10(3)13-11(4)12(5)15-6/h10-13H,7-9H2,1-6H3.
What are the key properties of 1-N,1-N-diethyl-2-N-(3-methoxybutan-2-yl)propane-1,2-diamine?
1-N,1-N-diethyl-2-N-(3-methoxybutan-2-yl)propane-1,2-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-2-N-(3-methoxybutan-2-yl)propane-1,2-diamine is sourced from PubChem (CID 115716950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).