2-N-(3-methoxypropyl)-2-methyl-2-N-propylbutane-1,2-diamine

C12H28N2O — CID 62007992

IUPAC2-N-(3-methoxypropyl)-2-methyl-2-N-propylbutane-1,2-diamine
SMILESCCCN(CCCOC)C(C)(CC)CN
InChIInChI=1S/C12H28N2O/c1-5-8-14(9-7-10-15-4)12(3,6-2)11-13/h5-11,13H2,1-4H3
InChIKeyVQOVLFKRLZPNEG-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.86
Rot. Bonds9

About 2-N-(3-methoxypropyl)-2-methyl-2-N-propylbutane-1,2-diamine

2-N-(3-methoxypropyl)-2-methyl-2-N-propylbutane-1,2-diamine (PubChem CID 62007992) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 2-N-(3-methoxypropyl)-2-methyl-2-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-methoxypropyl)-2-methyl-2-N-propylbutane-1,2-diamine
PubChem CID62007992
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name2-N-(3-methoxypropyl)-2-methyl-2-N-propylbutane-1,2-diamine
SMILESCCCN(CCCOC)C(C)(CC)CN
InChIInChI=1S/C12H28N2O/c1-5-8-14(9-7-10-15-4)12(3,6-2)11-13/h5-11,13H2,1-4H3
InChIKeyVQOVLFKRLZPNEG-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.86
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

2-N-[3-(dimethylamino)propyl]-2-methyl-2-N-propylbutane-1,2-diamine
CID 114524991
2-N,2-N-bis(2-methoxyethyl)-2-methylheptane-1,2-diamine
CID 112723382
4-[(1-amino-2-methylbutan-2-yl)-propylamino]-2-methylbutan-2-ol
CID 79360585
2-methyl-2-N-(3-methylbutyl)-2-N-propylbutane-1,2-diamine
CID 62007587
4-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-methylbutanamide
CID 63891389
2-methyl-2-N-(4-phenylbutyl)-2-N-propylbutane-1,2-diamine
CID 114333063
2-ethyl-2-N-(3-methoxypropyl)-2-N-methylhexane-1,2-diamine
CID 63951842
N-(1-amino-2-methylbutan-2-yl)-N-ethyl-3-methoxypropane-1-sulfonamide
CID 55172878
N-(3-methoxypropyl)-N-propylbutan-1-amine
CID 148527090
4-[(1-amino-2-methylbutan-2-yl)-ethylamino]butan-1-ol
CID 62008969
CID 87425929
CID 87425929
2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
CID 114867556

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methoxypropyl)-2-methyl-2-N-propylbutane-1,2-diamine?
The IUPAC name of 2-N-(3-methoxypropyl)-2-methyl-2-N-propylbutane-1,2-diamine (CID 62007992) is 2-N-(3-methoxypropyl)-2-methyl-2-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(3-methoxypropyl)-2-methyl-2-N-propylbutane-1,2-diamine?
The canonical SMILES for 2-N-(3-methoxypropyl)-2-methyl-2-N-propylbutane-1,2-diamine is CCCN(CCCOC)C(C)(CC)CN.
What is the InChIKey of 2-N-(3-methoxypropyl)-2-methyl-2-N-propylbutane-1,2-diamine?
The InChIKey is VQOVLFKRLZPNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-5-8-14(9-7-10-15-4)12(3,6-2)11-13/h5-11,13H2,1-4H3.
What are the key properties of 2-N-(3-methoxypropyl)-2-methyl-2-N-propylbutane-1,2-diamine?
2-N-(3-methoxypropyl)-2-methyl-2-N-propylbutane-1,2-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.86, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methoxypropyl)-2-methyl-2-N-propylbutane-1,2-diamine is sourced from PubChem (CID 62007992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).