3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-yl-2-N-propylpropane-1,2-diamine

C14H32N2O — CID 107505564

IUPAC3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-yl-2-N-propylpropane-1,2-diamine
SMILESCCCNC(COC)CN(CC(C)C)C(C)C
InChIInChI=1S/C14H32N2O/c1-7-8-15-14(11-17-6)10-16(13(4)5)9-12(2)3/h12-15H,7-11H2,1-6H3
InChIKeyCBOIEJCPOGYMSJ-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.37
Rot. Bonds10

About 3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-yl-2-N-propylpropane-1,2-diamine

3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-yl-2-N-propylpropane-1,2-diamine (PubChem CID 107505564) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is 3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-yl-2-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-yl-2-N-propylpropane-1,2-diamine
PubChem CID107505564
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC Name3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-yl-2-N-propylpropane-1,2-diamine
SMILESCCCNC(COC)CN(CC(C)C)C(C)C
InChIInChI=1S/C14H32N2O/c1-7-8-15-14(11-17-6)10-16(13(4)5)9-12(2)3/h12-15H,7-11H2,1-6H3
InChIKeyCBOIEJCPOGYMSJ-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 107505563
3-methoxy-1-N-methyl-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine
CID 107505365
1-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine
CID 107505371
1-N-[2-(dimethylamino)ethyl]-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine
CID 107505592
2-N-ethyl-3-methoxy-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine
CID 107505355
1-N,1-N-dibutyl-3-methoxy-2-N-propylpropane-1,2-diamine
CID 107505330
1-N-(3,3-dimethylbutan-2-yl)-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine
CID 107505584
1-N-ethyl-1-N-propan-2-yl-2-N-propylpentane-1,2-diamine
CID 62041625
1-N-cyclobutyl-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine
CID 107505949
3-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)propan-1-ol
CID 64825577
1-tert-butylsulfonyl-3-methoxy-N-propylpropan-2-amine
CID 107508526
1-methoxy-3-(2-methoxyethylsulfonyl)-N-propylpropan-2-amine
CID 107508592

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-yl-2-N-propylpropane-1,2-diamine?
The IUPAC name of 3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-yl-2-N-propylpropane-1,2-diamine (CID 107505564) is 3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-yl-2-N-propylpropane-1,2-diamine.
What is the SMILES notation for 3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-yl-2-N-propylpropane-1,2-diamine?
The canonical SMILES for 3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-yl-2-N-propylpropane-1,2-diamine is CCCNC(COC)CN(CC(C)C)C(C)C.
What is the InChIKey of 3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-yl-2-N-propylpropane-1,2-diamine?
The InChIKey is CBOIEJCPOGYMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-7-8-15-14(11-17-6)10-16(13(4)5)9-12(2)3/h12-15H,7-11H2,1-6H3.
What are the key properties of 3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-yl-2-N-propylpropane-1,2-diamine?
3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-yl-2-N-propylpropane-1,2-diamine has a molecular weight of 244.42 g/mol, XLogP of 2.37, 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-(2-methylpropyl)-1-N-propan-2-yl-2-N-propylpropane-1,2-diamine is sourced from PubChem (CID 107505564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).