3-methoxy-1-N-methyl-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine

C13H30N2O — CID 103226150

IUPAC3-methoxy-1-N-methyl-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine
SMILESCCCCCN(C(C)C)C(CNC)COC
InChIInChI=1S/C13H30N2O/c1-6-7-8-9-15(12(2)3)13(10-14-4)11-16-5/h12-14H,6-11H2,1-5H3
InChIKeyZMZYRLYXRLMMRP-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.12
Rot. Bonds10

About 3-methoxy-1-N-methyl-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine

3-methoxy-1-N-methyl-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine (PubChem CID 103226150) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 3-methoxy-1-N-methyl-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-1-N-methyl-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine
PubChem CID103226150
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name3-methoxy-1-N-methyl-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine
SMILESCCCCCN(C(C)C)C(CNC)COC
InChIInChI=1S/C13H30N2O/c1-6-7-8-9-15(12(2)3)13(10-14-4)11-16-5/h12-14H,6-11H2,1-5H3
InChIKeyZMZYRLYXRLMMRP-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-methoxy-2-[pentyl(propan-2-yl)amino]butan-1-ol
CID 114356963
3-methoxy-2-N-(1-methoxypropan-2-yl)-1-N,2-N-dimethylpropane-1,2-diamine
CID 103225975
2-N-(2-methoxyethyl)-1-N-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 82952553
3-methoxy-1-N,2-N-dimethyl-2-N-pentan-2-ylpropane-1,2-diamine
CID 103225752
N,N-di(propan-2-yl)heptadecan-1-amine
CID 138744995
3-methoxy-2-N-methyl-1-N-(2-methylpropyl)-2-N-pentylpropane-1,2-diamine
CID 103225627
1-N-(2-methylpropyl)-2-N-pentyl-2-N-propan-2-ylpentane-1,2-diamine
CID 83054297
3-methoxy-2-N-methyl-1-N-pentyl-1-N-propan-2-ylpropane-1,2-diamine
CID 107505554
3-methoxy-1-N,2-N-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine
CID 103226184
N,N-di(propan-2-yl)butan-1-amine
CID 11062646
1-N-cyclopropyl-2-N-pentyl-2-N-propan-2-ylpentane-1,2-diamine
CID 83054390
1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-pentylpropane-1,2-diamine
CID 103225626

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-N-methyl-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine?
The IUPAC name of 3-methoxy-1-N-methyl-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine (CID 103226150) is 3-methoxy-1-N-methyl-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine.
What is the SMILES notation for 3-methoxy-1-N-methyl-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine?
The canonical SMILES for 3-methoxy-1-N-methyl-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine is CCCCCN(C(C)C)C(CNC)COC.
What is the InChIKey of 3-methoxy-1-N-methyl-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine?
The InChIKey is ZMZYRLYXRLMMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-6-7-8-9-15(12(2)3)13(10-14-4)11-16-5/h12-14H,6-11H2,1-5H3.
What are the key properties of 3-methoxy-1-N-methyl-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine?
3-methoxy-1-N-methyl-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine has a molecular weight of 230.40 g/mol, XLogP of 2.12, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-N-methyl-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine is sourced from PubChem (CID 103226150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).