4,4-dimethoxy-2-methyl-2-N-(2-methylpropyl)-2-N-propan-2-ylbutane-1,2-diamine

C14H32N2O2 — CID 66180810

IUPAC4,4-dimethoxy-2-methyl-2-N-(2-methylpropyl)-2-N-propan-2-ylbutane-1,2-diamine
SMILESCOC(CC(C)(CN)N(CC(C)C)C(C)C)OC
InChIInChI=1S/C14H32N2O2/c1-11(2)9-16(12(3)4)14(5,10-15)8-13(17-6)18-7/h11-13H,8-10,15H2,1-7H3
InChIKeySVPJDSJQBNNKIN-UHFFFAOYSA-N
MW260.42 g/mol
LogP2.08
Rot. Bonds9

About 4,4-dimethoxy-2-methyl-2-N-(2-methylpropyl)-2-N-propan-2-ylbutane-1,2-diamine

4,4-dimethoxy-2-methyl-2-N-(2-methylpropyl)-2-N-propan-2-ylbutane-1,2-diamine (PubChem CID 66180810) has the molecular formula C14H32N2O2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 4,4-dimethoxy-2-methyl-2-N-(2-methylpropyl)-2-N-propan-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name4,4-dimethoxy-2-methyl-2-N-(2-methylpropyl)-2-N-propan-2-ylbutane-1,2-diamine
PubChem CID66180810
Molecular FormulaC14H32N2O2
Molecular Weight260.42 g/mol
Exact Mass260.25
IUPAC Name4,4-dimethoxy-2-methyl-2-N-(2-methylpropyl)-2-N-propan-2-ylbutane-1,2-diamine
SMILESCOC(CC(C)(CN)N(CC(C)C)C(C)C)OC
InChIInChI=1S/C14H32N2O2/c1-11(2)9-16(12(3)4)14(5,10-15)8-13(17-6)18-7/h11-13H,8-10,15H2,1-7H3
InChIKeySVPJDSJQBNNKIN-UHFFFAOYSA-N
XLogP2.08
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 52.08
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-butan-2-yl-4,4-dimethoxy-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine
CID 66180809
4,4-dimethoxy-2-N,2-dimethyl-2-N-(2-methylbutan-2-yl)butane-1,2-diamine
CID 66181011
4,4-dimethoxy-2-N,2-dimethyl-2-N-pentan-2-ylbutane-1,2-diamine
CID 66178833
2-N-[(4-bromophenyl)methyl]-4,4-dimethoxy-2-N,2-dimethylbutane-1,2-diamine
CID 66180608
4,4-dimethoxy-2-N,2-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine
CID 66180213
4,4-dimethoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-4-yl)butane-1,2-diamine
CID 66178631
3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylpropyl)propane-1,2-diamine
CID 55169280
2-N-ethyl-2-N-(2-fluorophenyl)-4,4-dimethoxy-2-methylbutane-1,2-diamine
CID 66180018
5-amino-1,1-dimethoxy-3,4-dimethylpentan-3-ol
CID 79124870
3-methoxy-2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine
CID 62534549
2-N,2-dimethyl-2-N-(2-methylpropyl)nonane-1,2-diamine
CID 43271963
2-methyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
CID 114995583

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethoxy-2-methyl-2-N-(2-methylpropyl)-2-N-propan-2-ylbutane-1,2-diamine?
The IUPAC name of 4,4-dimethoxy-2-methyl-2-N-(2-methylpropyl)-2-N-propan-2-ylbutane-1,2-diamine (CID 66180810) is 4,4-dimethoxy-2-methyl-2-N-(2-methylpropyl)-2-N-propan-2-ylbutane-1,2-diamine.
What is the SMILES notation for 4,4-dimethoxy-2-methyl-2-N-(2-methylpropyl)-2-N-propan-2-ylbutane-1,2-diamine?
The canonical SMILES for 4,4-dimethoxy-2-methyl-2-N-(2-methylpropyl)-2-N-propan-2-ylbutane-1,2-diamine is COC(CC(C)(CN)N(CC(C)C)C(C)C)OC.
What is the InChIKey of 4,4-dimethoxy-2-methyl-2-N-(2-methylpropyl)-2-N-propan-2-ylbutane-1,2-diamine?
The InChIKey is SVPJDSJQBNNKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O2/c1-11(2)9-16(12(3)4)14(5,10-15)8-13(17-6)18-7/h11-13H,8-10,15H2,1-7H3.
What are the key properties of 4,4-dimethoxy-2-methyl-2-N-(2-methylpropyl)-2-N-propan-2-ylbutane-1,2-diamine?
4,4-dimethoxy-2-methyl-2-N-(2-methylpropyl)-2-N-propan-2-ylbutane-1,2-diamine has a molecular weight of 260.42 g/mol, XLogP of 2.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethoxy-2-methyl-2-N-(2-methylpropyl)-2-N-propan-2-ylbutane-1,2-diamine is sourced from PubChem (CID 66180810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).