2-N-ethyl-4,4-dimethoxy-2-N-methylbutane-1,2-diamine

C9H22N2O2 — CID 66268420

IUPAC2-N-ethyl-4,4-dimethoxy-2-N-methylbutane-1,2-diamine
SMILESCCN(C)C(CN)CC(OC)OC
InChIInChI=1S/C9H22N2O2/c1-5-11(2)8(7-10)6-9(12-3)13-4/h8-9H,5-7,10H2,1-4H3
InChIKeyYODXTWDIKGYFPD-UHFFFAOYSA-N
MW190.29 g/mol
LogP0.27
Rot. Bonds7

About 2-N-ethyl-4,4-dimethoxy-2-N-methylbutane-1,2-diamine

2-N-ethyl-4,4-dimethoxy-2-N-methylbutane-1,2-diamine (PubChem CID 66268420) has the molecular formula C9H22N2O2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-N-ethyl-4,4-dimethoxy-2-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-4,4-dimethoxy-2-N-methylbutane-1,2-diamine
PubChem CID66268420
Molecular FormulaC9H22N2O2
Molecular Weight190.29 g/mol
Exact Mass190.17
IUPAC Name2-N-ethyl-4,4-dimethoxy-2-N-methylbutane-1,2-diamine
SMILESCCN(C)C(CN)CC(OC)OC
InChIInChI=1S/C9H22N2O2/c1-5-11(2)8(7-10)6-9(12-3)13-4/h8-9H,5-7,10H2,1-4H3
InChIKeyYODXTWDIKGYFPD-UHFFFAOYSA-N
XLogP0.27
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 50.27
H-Bond Donors ≤ 51
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

2-N-(2-ethoxyethyl)-4,4-dimethoxy-2-N-methylbutane-1,2-diamine
CID 81058494
2-N-[3-(dimethylamino)propyl]-4,4-dimethoxy-2-N-methylbutane-1,2-diamine
CID 66268623
4,4-dimethoxy-2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]butane-1,2-diamine
CID 66268815
4,4-dimethoxy-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
CID 66268814
4,4-dimethoxy-2-N-methyl-2-N-(thiophen-3-ylmethyl)butane-1,2-diamine
CID 66269559
4,4-dimethoxy-2-N-methyl-2-N-(2-thiophen-2-ylethyl)butane-1,2-diamine
CID 79475548
4,4-dimethoxy-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)butane-1,2-diamine
CID 66268426
2-N-(cyclopropylmethyl)-4,4-dimethoxy-2-N-propylbutane-1,2-diamine
CID 66270133
N-(2,2-dimethoxyethyl)-N-methylpentan-3-amine
CID 66221244
ethyl 2-fluoro-4,4-dimethoxybutanoate
CID 134163160
3-N-ethyl-3-N-methylhexane-1,3-diamine
CID 59020922
4,4-dimethoxy-2-N-propylbutane-1,2-diamine
CID 66268239

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4,4-dimethoxy-2-N-methylbutane-1,2-diamine?
The IUPAC name of 2-N-ethyl-4,4-dimethoxy-2-N-methylbutane-1,2-diamine (CID 66268420) is 2-N-ethyl-4,4-dimethoxy-2-N-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-4,4-dimethoxy-2-N-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-4,4-dimethoxy-2-N-methylbutane-1,2-diamine is CCN(C)C(CN)CC(OC)OC.
What is the InChIKey of 2-N-ethyl-4,4-dimethoxy-2-N-methylbutane-1,2-diamine?
The InChIKey is YODXTWDIKGYFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2/c1-5-11(2)8(7-10)6-9(12-3)13-4/h8-9H,5-7,10H2,1-4H3.
What are the key properties of 2-N-ethyl-4,4-dimethoxy-2-N-methylbutane-1,2-diamine?
2-N-ethyl-4,4-dimethoxy-2-N-methylbutane-1,2-diamine has a molecular weight of 190.29 g/mol, XLogP of 0.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4,4-dimethoxy-2-N-methylbutane-1,2-diamine is sourced from PubChem (CID 66268420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).