4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-1-N-methylpentane-1,4-diamine

C13H30N2O2 — CID 62448202

IUPAC4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-1-N-methylpentane-1,4-diamine
SMILESCNCCCC(C)N(CCOC)C(C)COC
InChIInChI=1S/C13H30N2O2/c1-12(7-6-8-14-3)15(9-10-16-4)13(2)11-17-5/h12-14H,6-11H2,1-5H3
InChIKeyVQSAKVZBXVIKLT-UHFFFAOYSA-N
MW246.39 g/mol
LogP1.36
Rot. Bonds11

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

4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-1-N-methylpentane-1,4-diamine (PubChem CID 62448202) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-1-N-methylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-1-N-methylpentane-1,4-diamine
PubChem CID62448202
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Name4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-1-N-methylpentane-1,4-diamine
SMILESCNCCCC(C)N(CCOC)C(C)COC
InChIInChI=1S/C13H30N2O2/c1-12(7-6-8-14-3)15(9-10-16-4)13(2)11-17-5/h12-14H,6-11H2,1-5H3
InChIKeyVQSAKVZBXVIKLT-UHFFFAOYSA-N
XLogP1.36
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2-methoxyethyl)-1-N-methyl-4-N-prop-2-enylpentane-1,4-diamine
CID 103340397
4-N-(3-methoxypropyl)-1-N,4-N-dimethylpentane-1,4-diamine
CID 63007950
4-N-(2-methoxyethyl)-1-N,4-N-di(propan-2-yl)pentane-1,4-diamine
CID 82952231
4-N-(2-methoxyethyl)-4-N-propan-2-yl-1-N-propylpentane-1,4-diamine
CID 82952481
2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-1-N-pentylpropane-1,2-diamine
CID 55087956
1-N-methyl-4-N,4-N-dipropylpentane-1,4-diamine
CID 62423084
1-N-cyclopropyl-4-N-(2-methoxyethyl)-4-N-pentan-3-ylpentane-1,4-diamine
CID 62449357
N',N'-bis(2-methoxyethyl)-N-methylpropane-1,3-diamine
CID 61418451
2-N-(2-methoxyethyl)-1-N-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 82952553
1-N-cyclopropyl-4-N,4-N-bis(2-methoxyethyl)pentane-1,4-diamine
CID 62462661
3-N-(3-methoxypropyl)-1-N,3-N-dimethylbutane-1,3-diamine
CID 63009569
3-N-(2-methoxyethyl)-1-N,3-N-di(propan-2-yl)butane-1,3-diamine
CID 82953440

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-1-N-methylpentane-1,4-diamine?
The IUPAC name of 4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-1-N-methylpentane-1,4-diamine (CID 62448202) is 4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-1-N-methylpentane-1,4-diamine.
What is the SMILES notation for 4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-1-N-methylpentane-1,4-diamine?
The canonical SMILES for 4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-1-N-methylpentane-1,4-diamine is CNCCCC(C)N(CCOC)C(C)COC.
What is the InChIKey of 4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-1-N-methylpentane-1,4-diamine?
The InChIKey is VQSAKVZBXVIKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2/c1-12(7-6-8-14-3)15(9-10-16-4)13(2)11-17-5/h12-14H,6-11H2,1-5H3.
What are the key properties of 4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-1-N-methylpentane-1,4-diamine?
4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-1-N-methylpentane-1,4-diamine has a molecular weight of 246.39 g/mol, XLogP of 1.36, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-1-N-methylpentane-1,4-diamine is sourced from PubChem (CID 62448202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).