3-methoxy-2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine

C11H26N2O — CID 62534549

IUPAC3-methoxy-2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine
SMILESCOCC(C)(CN)N(C)CCC(C)C
InChIInChI=1S/C11H26N2O/c1-10(2)6-7-13(4)11(3,8-12)9-14-5/h10H,6-9,12H2,1-5H3
InChIKeyUHASDRIKZFYDNW-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.33
Rot. Bonds7

About 3-methoxy-2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine

3-methoxy-2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine (PubChem CID 62534549) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 3-methoxy-2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine
PubChem CID62534549
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name3-methoxy-2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine
SMILESCOCC(C)(CN)N(C)CCC(C)C
InChIInChI=1S/C11H26N2O/c1-10(2)6-7-13(4)11(3,8-12)9-14-5/h10H,6-9,12H2,1-5H3
InChIKeyUHASDRIKZFYDNW-UHFFFAOYSA-N
XLogP1.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,2-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine
CID 61425963
2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine
CID 61425411
ethane;N,2,4-trimethyl-N-(3-methylbutyl)pentan-2-amine
CID 157040656
2-N,2-dimethyl-2-N-[2-(2-methylpropoxy)ethyl]butane-1,2-diamine
CID 106450923
2-methyl-2-N-(3-methylbutyl)-2-N-propylbutane-1,2-diamine
CID 62007587
1-methoxy-2,5-dimethylhexan-2-amine
CID 62619989
2-N,2-dimethyl-2-N-(2-methylpropyl)nonane-1,2-diamine
CID 43271963
2-N-cyclopropyl-2,5-dimethyl-2-N-(3-methylbutyl)hexane-1,2-diamine
CID 78974063
2-methyl-2-N,2-N-bis(3-methylbutyl)octane-1,2-diamine
CID 107869523
2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine
CID 81059114
3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylpropyl)propane-1,2-diamine
CID 55169280
4-methoxy-2-N,3-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine
CID 116501663

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine?
The IUPAC name of 3-methoxy-2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine (CID 62534549) is 3-methoxy-2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine.
What is the SMILES notation for 3-methoxy-2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine?
The canonical SMILES for 3-methoxy-2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine is COCC(C)(CN)N(C)CCC(C)C.
What is the InChIKey of 3-methoxy-2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine?
The InChIKey is UHASDRIKZFYDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-10(2)6-7-13(4)11(3,8-12)9-14-5/h10H,6-9,12H2,1-5H3.
What are the key properties of 3-methoxy-2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine?
3-methoxy-2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine has a molecular weight of 202.34 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine is sourced from PubChem (CID 62534549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).