1-N-tert-butyl-2-N-ethyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine

C15H32N2 — CID 83043527

IUPAC1-N-tert-butyl-2-N-ethyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine
SMILESC=C(C)CN(CC)C(CCC)CNC(C)(C)C
InChIInChI=1S/C15H32N2/c1-8-10-14(11-16-15(5,6)7)17(9-2)12-13(3)4/h14,16H,3,8-12H2,1-2,4-7H3
InChIKeyULZOMDJOSVHJRA-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.44
Rot. Bonds8

About 1-N-tert-butyl-2-N-ethyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine

1-N-tert-butyl-2-N-ethyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine (PubChem CID 83043527) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N-ethyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-2-N-ethyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine
PubChem CID83043527
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name1-N-tert-butyl-2-N-ethyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine
SMILESC=C(C)CN(CC)C(CCC)CNC(C)(C)C
InChIInChI=1S/C15H32N2/c1-8-10-14(11-16-15(5,6)7)17(9-2)12-13(3)4/h14,16H,3,8-12H2,1-2,4-7H3
InChIKeyULZOMDJOSVHJRA-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-ethyl-1-N-methyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine
CID 83043424
1-N-tert-butyl-2-N-ethyl-2-N-prop-2-ynylpentane-1,2-diamine
CID 83054902
1-N-tert-butyl-2-N,2-N-dibutylpentane-1,2-diamine
CID 83042225
3-N-ethyl-3-N-(2-methylprop-2-enyl)-1-N-propylbutane-1,3-diamine
CID 62417278
2-N-ethyl-2-N-(2-methylprop-2-enyl)-1-N-(2-methylpropyl)propane-1,2-diamine
CID 62419582
1-N-tert-butyl-2-N-ethyl-2-N-(2-methylpropyl)butane-1,2-diamine
CID 62422722
1-N-tert-butyl-2-N-butyl-2-N-methylpentane-1,2-diamine
CID 83042715
1-N,2-N,2-N-triethylpentane-1,2-diamine
CID 83043312
3-N-ethyl-1-N,2-dimethyl-3-N-(2-methylprop-2-enyl)butane-1,3-diamine
CID 79414159
1-N-tert-butyl-2-N,2-N-bis(2-methylpropyl)butane-1,2-diamine
CID 62428200
1-N-tert-butyl-2-N-cyclopropyl-2-N-prop-2-enylpentane-1,2-diamine
CID 83044416
1-N-tert-butyl-2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxypropane-1,2-diamine
CID 103226050

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N-ethyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine?
The IUPAC name of 1-N-tert-butyl-2-N-ethyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine (CID 83043527) is 1-N-tert-butyl-2-N-ethyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine.
What is the SMILES notation for 1-N-tert-butyl-2-N-ethyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine?
The canonical SMILES for 1-N-tert-butyl-2-N-ethyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine is C=C(C)CN(CC)C(CCC)CNC(C)(C)C.
What is the InChIKey of 1-N-tert-butyl-2-N-ethyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine?
The InChIKey is ULZOMDJOSVHJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-8-10-14(11-16-15(5,6)7)17(9-2)12-13(3)4/h14,16H,3,8-12H2,1-2,4-7H3.
What are the key properties of 1-N-tert-butyl-2-N-ethyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine?
1-N-tert-butyl-2-N-ethyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-2-N-ethyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine is sourced from PubChem (CID 83043527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).