2-N-(3-methoxy-3-methylbutyl)-2-methyl-2-N-propylpropane-1,2-diamine

C13H30N2O — CID 103033017

IUPAC2-N-(3-methoxy-3-methylbutyl)-2-methyl-2-N-propylpropane-1,2-diamine
SMILESCCCN(CCC(C)(C)OC)C(C)(C)CN
InChIInChI=1S/C13H30N2O/c1-7-9-15(12(2,3)11-14)10-8-13(4,5)16-6/h7-11,14H2,1-6H3
InChIKeyCCVUTFMADVHHDZ-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.25
Rot. Bonds8

About 2-N-(3-methoxy-3-methylbutyl)-2-methyl-2-N-propylpropane-1,2-diamine

2-N-(3-methoxy-3-methylbutyl)-2-methyl-2-N-propylpropane-1,2-diamine (PubChem CID 103033017) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 2-N-(3-methoxy-3-methylbutyl)-2-methyl-2-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-methoxy-3-methylbutyl)-2-methyl-2-N-propylpropane-1,2-diamine
PubChem CID103033017
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name2-N-(3-methoxy-3-methylbutyl)-2-methyl-2-N-propylpropane-1,2-diamine
SMILESCCCN(CCC(C)(C)OC)C(C)(C)CN
InChIInChI=1S/C13H30N2O/c1-7-9-15(12(2,3)11-14)10-8-13(4,5)16-6/h7-11,14H2,1-6H3
InChIKeyCCVUTFMADVHHDZ-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-aminoethyl)-N'-(3-methoxy-3-methylbutyl)ethane-1,2-diamine
CID 103034073
N'-butyl-N'-(3-methoxy-3-methylbutyl)ethane-1,2-diamine
CID 103034042
4-N-(3-methoxy-3-methylbutyl)-4-N-propylcyclohexane-1,4-diamine
CID 103034869
2-methyl-2-N-propyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 107911288
3,3-dimethoxy-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine
CID 66181214
2-ethyl-5-methoxy-2,5-dimethylhexan-1-amine
CID 103017418
2,5-dimethoxy-2,5-dimethylhexane
CID 552009
2-N-ethyl-2-methyl-2-N-(2-propylsulfonylethyl)propane-1,2-diamine
CID 106722748
N'-(4-methoxy-4-methylpentan-2-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79667971
4-[[(3-methoxy-3-methylbutyl)-propylamino]methyl]aniline
CID 103034086
2-[(1-amino-2-methylpropan-2-yl)-propylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 62007770
4-[(1-amino-2-methylbutan-2-yl)-propylamino]-2-methylbutan-2-ol
CID 79360585

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methoxy-3-methylbutyl)-2-methyl-2-N-propylpropane-1,2-diamine?
The IUPAC name of 2-N-(3-methoxy-3-methylbutyl)-2-methyl-2-N-propylpropane-1,2-diamine (CID 103033017) is 2-N-(3-methoxy-3-methylbutyl)-2-methyl-2-N-propylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(3-methoxy-3-methylbutyl)-2-methyl-2-N-propylpropane-1,2-diamine?
The canonical SMILES for 2-N-(3-methoxy-3-methylbutyl)-2-methyl-2-N-propylpropane-1,2-diamine is CCCN(CCC(C)(C)OC)C(C)(C)CN.
What is the InChIKey of 2-N-(3-methoxy-3-methylbutyl)-2-methyl-2-N-propylpropane-1,2-diamine?
The InChIKey is CCVUTFMADVHHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-7-9-15(12(2,3)11-14)10-8-13(4,5)16-6/h7-11,14H2,1-6H3.
What are the key properties of 2-N-(3-methoxy-3-methylbutyl)-2-methyl-2-N-propylpropane-1,2-diamine?
2-N-(3-methoxy-3-methylbutyl)-2-methyl-2-N-propylpropane-1,2-diamine has a molecular weight of 230.40 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methoxy-3-methylbutyl)-2-methyl-2-N-propylpropane-1,2-diamine is sourced from PubChem (CID 103033017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).