4-methoxy-2-N-(2-methoxyethyl)-4-methylpentane-1,2-diamine

C10H24N2O2 — CID 106675666

IUPAC4-methoxy-2-N-(2-methoxyethyl)-4-methylpentane-1,2-diamine
SMILESCOCCNC(CN)CC(C)(C)OC
InChIInChI=1S/C10H24N2O2/c1-10(2,14-4)7-9(8-11)12-5-6-13-3/h9,12H,5-8,11H2,1-4H3
InChIKeyZXHNISIZTDVCEC-UHFFFAOYSA-N
MW204.31 g/mol
LogP0.36
Rot. Bonds8

About 4-methoxy-2-N-(2-methoxyethyl)-4-methylpentane-1,2-diamine

4-methoxy-2-N-(2-methoxyethyl)-4-methylpentane-1,2-diamine (PubChem CID 106675666) has the molecular formula C10H24N2O2 and a molecular weight of 204.31 g/mol. Its IUPAC name is 4-methoxy-2-N-(2-methoxyethyl)-4-methylpentane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-2-N-(2-methoxyethyl)-4-methylpentane-1,2-diamine
PubChem CID106675666
Molecular FormulaC10H24N2O2
Molecular Weight204.31 g/mol
Exact Mass204.18
IUPAC Name4-methoxy-2-N-(2-methoxyethyl)-4-methylpentane-1,2-diamine
SMILESCOCCNC(CN)CC(C)(C)OC
InChIInChI=1S/C10H24N2O2/c1-10(2,14-4)7-9(8-11)12-5-6-13-3/h9,12H,5-8,11H2,1-4H3
InChIKeyZXHNISIZTDVCEC-UHFFFAOYSA-N
XLogP0.36
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 ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-methoxy-1-N,4-dimethylpentane-1,2-diamine
CID 88939090
4-Methyl-4-[2-(propylamino)propoxy]pentan-2-amine
CID 117782662
4-Methyl-4-[2-(propan-2-ylamino)propoxy]pentan-2-amine
CID 138475373
(4R)-4-methyl-4-[2-(propylamino)propoxy]hexan-2-amine
CID 156509563
(2S)-4-methoxy-N-(2-methoxyethyl)-4-methylpentan-2-amine
CID 29013892
(2R)-4-methoxy-N-(2-methoxyethyl)-4-methylpentan-2-amine
CID 29013894
(2S)-4-methoxy-N-[(2R)-1-methoxypropan-2-yl]-4-methylpentan-2-amine
CID 29013992
(2S)-4-methoxy-N-[(2S)-1-methoxypropan-2-yl]-4-methylpentan-2-amine
CID 29013994
(2R)-4-methoxy-N-[(2R)-1-methoxypropan-2-yl]-4-methylpentan-2-amine
CID 29013996
(2R)-4-methoxy-N-[(2S)-1-methoxypropan-2-yl]-4-methylpentan-2-amine
CID 29013998
(4-Methoxy-4-methylpentan-2-yl)(2-methoxyethyl)amine
CID 43146963
(4-Methoxy-4-methylpentan-2-yl)(1-methoxypropan-2-yl)amine
CID 43146995

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-N-(2-methoxyethyl)-4-methylpentane-1,2-diamine?
The IUPAC name of 4-methoxy-2-N-(2-methoxyethyl)-4-methylpentane-1,2-diamine (CID 106675666) is 4-methoxy-2-N-(2-methoxyethyl)-4-methylpentane-1,2-diamine.
What is the SMILES notation for 4-methoxy-2-N-(2-methoxyethyl)-4-methylpentane-1,2-diamine?
The canonical SMILES for 4-methoxy-2-N-(2-methoxyethyl)-4-methylpentane-1,2-diamine is COCCNC(CN)CC(C)(C)OC.
What is the InChIKey of 4-methoxy-2-N-(2-methoxyethyl)-4-methylpentane-1,2-diamine?
The InChIKey is ZXHNISIZTDVCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2/c1-10(2,14-4)7-9(8-11)12-5-6-13-3/h9,12H,5-8,11H2,1-4H3.
What are the key properties of 4-methoxy-2-N-(2-methoxyethyl)-4-methylpentane-1,2-diamine?
4-methoxy-2-N-(2-methoxyethyl)-4-methylpentane-1,2-diamine has a molecular weight of 204.31 g/mol, XLogP of 0.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-N-(2-methoxyethyl)-4-methylpentane-1,2-diamine is sourced from PubChem (CID 106675666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).