2-N-tert-butyl-3-methoxy-1-N-(2-methylpropyl)-2-N-prop-2-enylpropane-1,2-diamine

C15H32N2O — CID 103227121

IUPAC2-N-tert-butyl-3-methoxy-1-N-(2-methylpropyl)-2-N-prop-2-enylpropane-1,2-diamine
SMILESC=CCN(C(CNCC(C)C)COC)C(C)(C)C
InChIInChI=1S/C15H32N2O/c1-8-9-17(15(4,5)6)14(12-18-7)11-16-10-13(2)3/h8,13-14,16H,1,9-12H2,2-7H3
InChIKeyMVIHYCIIOODPOP-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.53
Rot. Bonds9

About 2-N-tert-butyl-3-methoxy-1-N-(2-methylpropyl)-2-N-prop-2-enylpropane-1,2-diamine

2-N-tert-butyl-3-methoxy-1-N-(2-methylpropyl)-2-N-prop-2-enylpropane-1,2-diamine (PubChem CID 103227121) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-N-tert-butyl-3-methoxy-1-N-(2-methylpropyl)-2-N-prop-2-enylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-3-methoxy-1-N-(2-methylpropyl)-2-N-prop-2-enylpropane-1,2-diamine
PubChem CID103227121
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name2-N-tert-butyl-3-methoxy-1-N-(2-methylpropyl)-2-N-prop-2-enylpropane-1,2-diamine
SMILESC=CCN(C(CNCC(C)C)COC)C(C)(C)C
InChIInChI=1S/C15H32N2O/c1-8-9-17(15(4,5)6)14(12-18-7)11-16-10-13(2)3/h8,13-14,16H,1,9-12H2,2-7H3
InChIKeyMVIHYCIIOODPOP-UHFFFAOYSA-N
XLogP2.53
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-2-N-(2-methoxyethyl)-1-N-(2-methylpropyl)-2-N-prop-2-enylpropane-1,2-diamine
CID 103340293
3-methoxy-2-N,2-N-bis(2-methoxyethyl)-1-N-(2-methylpropyl)propane-1,2-diamine
CID 103226257
3-methoxy-2-N,2-N-bis(prop-2-enyl)-1-N-propylpropane-1,2-diamine
CID 103225186
2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine
CID 103226048
3-methoxy-2-N-methyl-1-N-(2-methylpropyl)-2-N-pentylpropane-1,2-diamine
CID 103225627
2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine
CID 103227433
3-methoxy-2-N,2-N-bis(prop-2-enyl)propane-1,2-diamine
CID 103225187
N-(2-chloro-3-methoxypropyl)-2-methylpropan-1-amine
CID 65023756
1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-prop-2-enylpropane-1,2-diamine
CID 103340233
(2S)-1-methoxy-N-methyl-N-prop-2-enylpropan-2-amine
CID 171624070
CID 175939227
CID 175939227
1-N-(3-methoxy-2-methylpropyl)-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 116500832

Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-3-methoxy-1-N-(2-methylpropyl)-2-N-prop-2-enylpropane-1,2-diamine?
The IUPAC name of 2-N-tert-butyl-3-methoxy-1-N-(2-methylpropyl)-2-N-prop-2-enylpropane-1,2-diamine (CID 103227121) is 2-N-tert-butyl-3-methoxy-1-N-(2-methylpropyl)-2-N-prop-2-enylpropane-1,2-diamine.
What is the SMILES notation for 2-N-tert-butyl-3-methoxy-1-N-(2-methylpropyl)-2-N-prop-2-enylpropane-1,2-diamine?
The canonical SMILES for 2-N-tert-butyl-3-methoxy-1-N-(2-methylpropyl)-2-N-prop-2-enylpropane-1,2-diamine is C=CCN(C(CNCC(C)C)COC)C(C)(C)C.
What is the InChIKey of 2-N-tert-butyl-3-methoxy-1-N-(2-methylpropyl)-2-N-prop-2-enylpropane-1,2-diamine?
The InChIKey is MVIHYCIIOODPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-8-9-17(15(4,5)6)14(12-18-7)11-16-10-13(2)3/h8,13-14,16H,1,9-12H2,2-7H3.
What are the key properties of 2-N-tert-butyl-3-methoxy-1-N-(2-methylpropyl)-2-N-prop-2-enylpropane-1,2-diamine?
2-N-tert-butyl-3-methoxy-1-N-(2-methylpropyl)-2-N-prop-2-enylpropane-1,2-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-3-methoxy-1-N-(2-methylpropyl)-2-N-prop-2-enylpropane-1,2-diamine is sourced from PubChem (CID 103227121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).