4,4-dimethoxy-2-N-(2-methylpropyl)butane-1,2-diamine

C10H24N2O2 — CID 66270524

IUPAC4,4-dimethoxy-2-N-(2-methylpropyl)butane-1,2-diamine
SMILESCOC(CC(CN)NCC(C)C)OC
InChIInChI=1S/C10H24N2O2/c1-8(2)7-12-9(6-11)5-10(13-3)14-4/h8-10,12H,5-7,11H2,1-4H3
InChIKeyYCQRYXHODPFDDM-UHFFFAOYSA-N
MW204.31 g/mol
LogP0.57
Rot. Bonds8

About 4,4-dimethoxy-2-N-(2-methylpropyl)butane-1,2-diamine

4,4-dimethoxy-2-N-(2-methylpropyl)butane-1,2-diamine (PubChem CID 66270524) has the molecular formula C10H24N2O2 and a molecular weight of 204.31 g/mol. Its IUPAC name is 4,4-dimethoxy-2-N-(2-methylpropyl)butane-1,2-diamine.

Molecular Properties

Compound Name4,4-dimethoxy-2-N-(2-methylpropyl)butane-1,2-diamine
PubChem CID66270524
Molecular FormulaC10H24N2O2
Molecular Weight204.31 g/mol
Exact Mass204.18
IUPAC Name4,4-dimethoxy-2-N-(2-methylpropyl)butane-1,2-diamine
SMILESCOC(CC(CN)NCC(C)C)OC
InChIInChI=1S/C10H24N2O2/c1-8(2)7-12-9(6-11)5-10(13-3)14-4/h8-10,12H,5-7,11H2,1-4H3
InChIKeyYCQRYXHODPFDDM-UHFFFAOYSA-N
XLogP0.57
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 50.57
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-propylbutane-1,2-diamine
CID 66268239
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
4,4-dimethoxy-2-N-(4-methylphenyl)butane-1,2-diamine
CID 66268435
2-N-(2-methylpropyl)nonane-1,2-diamine
CID 65385407
2-N-fluoro-4-methylpentane-1,2-diamine
CID 123548414
(2R,3S)-3-methoxy-N-(2-methylpropyl)butan-2-amine
CID 166556352
1-N'-(2-methylpropyl)ethane-1,1-diamine
CID 90182021
3-ethyl-2-N-(2-methylpropyl)pentane-1,2-diamine
CID 65386054
2-N-(2-methoxypropyl)-3-phenylpropane-1,2-diamine
CID 102697099
methyl 2-methyl-4-(2-methylpropylamino)pentanoate
CID 104645979
4-amino-3-(2-methylpropylamino)-1-piperidin-1-ylbutan-1-one
CID 66431528

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethoxy-2-N-(2-methylpropyl)butane-1,2-diamine?
The IUPAC name of 4,4-dimethoxy-2-N-(2-methylpropyl)butane-1,2-diamine (CID 66270524) is 4,4-dimethoxy-2-N-(2-methylpropyl)butane-1,2-diamine.
What is the SMILES notation for 4,4-dimethoxy-2-N-(2-methylpropyl)butane-1,2-diamine?
The canonical SMILES for 4,4-dimethoxy-2-N-(2-methylpropyl)butane-1,2-diamine is COC(CC(CN)NCC(C)C)OC.
What is the InChIKey of 4,4-dimethoxy-2-N-(2-methylpropyl)butane-1,2-diamine?
The InChIKey is YCQRYXHODPFDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2/c1-8(2)7-12-9(6-11)5-10(13-3)14-4/h8-10,12H,5-7,11H2,1-4H3.
What are the key properties of 4,4-dimethoxy-2-N-(2-methylpropyl)butane-1,2-diamine?
4,4-dimethoxy-2-N-(2-methylpropyl)butane-1,2-diamine has a molecular weight of 204.31 g/mol, XLogP of 0.57, 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-(2-methylpropyl)butane-1,2-diamine is sourced from PubChem (CID 66270524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).