4,4-dimethoxy-2-N-propylbutane-1,2-diamine

C9H22N2O2 — CID 66268239

IUPAC4,4-dimethoxy-2-N-propylbutane-1,2-diamine
SMILESCCCNC(CN)CC(OC)OC
InChIInChI=1S/C9H22N2O2/c1-4-5-11-8(7-10)6-9(12-2)13-3/h8-9,11H,4-7,10H2,1-3H3
InChIKeySHDXLCGIXCKEEG-UHFFFAOYSA-N
MW190.29 g/mol
LogP0.32
Rot. Bonds8

About 4,4-dimethoxy-2-N-propylbutane-1,2-diamine

4,4-dimethoxy-2-N-propylbutane-1,2-diamine (PubChem CID 66268239) has the molecular formula C9H22N2O2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 4,4-dimethoxy-2-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name4,4-dimethoxy-2-N-propylbutane-1,2-diamine
PubChem CID66268239
Molecular FormulaC9H22N2O2
Molecular Weight190.29 g/mol
Exact Mass190.17
IUPAC Name4,4-dimethoxy-2-N-propylbutane-1,2-diamine
SMILESCCCNC(CN)CC(OC)OC
InChIInChI=1S/C9H22N2O2/c1-4-5-11-8(7-10)6-9(12-2)13-3/h8-9,11H,4-7,10H2,1-3H3
InChIKeySHDXLCGIXCKEEG-UHFFFAOYSA-N
XLogP0.32
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4,4-dimethoxy-2-N-(2-methylpropyl)butane-1,2-diamine
CID 66270524
4,4-dimethoxy-2-N-prop-2-ynylbutane-1,2-diamine
CID 66270333
4,4-dimethoxy-2-N-(2-methylprop-2-enyl)butane-1,2-diamine
CID 114616213
4-methylsulfanyl-2-N-propylbutane-1,2-diamine
CID 62065657
4-amino-N-methyl-3-(propylamino)butanamide
CID 66427140
3-N-propylhexane-1,3-diamine
CID 88724695
2-N,4-N-diethylhexane-1,2,4,6-tetramine
CID 174662598
(1R)-1-iodo-N-propylethane-1,2-diamine
CID 89108168
1-methoxy-N-propylhexan-3-amine
CID 61412304
CID 59090951
CID 59090951
(2S)-4-methyl-2-N-[(Z)-octadec-9-enyl]pentane-1,2-diamine
CID 118235407
2-N-ethyl-4,4-dimethoxy-2-N-methylbutane-1,2-diamine
CID 66268420

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethoxy-2-N-propylbutane-1,2-diamine?
The IUPAC name of 4,4-dimethoxy-2-N-propylbutane-1,2-diamine (CID 66268239) is 4,4-dimethoxy-2-N-propylbutane-1,2-diamine.
What is the SMILES notation for 4,4-dimethoxy-2-N-propylbutane-1,2-diamine?
The canonical SMILES for 4,4-dimethoxy-2-N-propylbutane-1,2-diamine is CCCNC(CN)CC(OC)OC.
What is the InChIKey of 4,4-dimethoxy-2-N-propylbutane-1,2-diamine?
The InChIKey is SHDXLCGIXCKEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2/c1-4-5-11-8(7-10)6-9(12-2)13-3/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of 4,4-dimethoxy-2-N-propylbutane-1,2-diamine?
4,4-dimethoxy-2-N-propylbutane-1,2-diamine has a molecular weight of 190.29 g/mol, XLogP of 0.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethoxy-2-N-propylbutane-1,2-diamine is sourced from PubChem (CID 66268239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).