N'-tert-butyl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)ethane-1,2-diamine

C15H30N4 — CID 107445275

IUPACN'-tert-butyl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)ethane-1,2-diamine
SMILESCC(C)(C)NCCNC(Cn1ccnc1)C(C)(C)C
InChIInChI=1S/C15H30N4/c1-14(2,3)13(11-19-10-9-16-12-19)17-7-8-18-15(4,5)6/h9-10,12-13,17-18H,7-8,11H2,1-6H3
InChIKeyFHSFJIFCXZMZEC-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.28
Rot. Bonds6

About N'-tert-butyl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)ethane-1,2-diamine

N'-tert-butyl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)ethane-1,2-diamine (PubChem CID 107445275) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is N'-tert-butyl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)ethane-1,2-diamine
PubChem CID107445275
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC NameN'-tert-butyl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)ethane-1,2-diamine
SMILESCC(C)(C)NCCNC(Cn1ccnc1)C(C)(C)C
InChIInChI=1S/C15H30N4/c1-14(2,3)13(11-19-10-9-16-12-19)17-7-8-18-15(4,5)6/h9-10,12-13,17-18H,7-8,11H2,1-6H3
InChIKeyFHSFJIFCXZMZEC-UHFFFAOYSA-N
XLogP2.28
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-imidazol-1-yl-3,3-dimethyl-N-propylbutan-2-amine
CID 43749580
tert-butyl N-[3-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)amino]propyl]carbamate
CID 103821872
N-[(2,4-difluorophenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine
CID 43749470
3-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)amino]-2-methylbutan-2-ol
CID 65337512
tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate
CID 65142849
N-[(2-bromo-4-methylphenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine
CID 115556703
1-imidazol-1-yl-3,3-dimethyl-N-(3-methylpentan-2-yl)butan-2-amine
CID 43749439
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-5-methylhexan-2-amine
CID 43749519
N-[(3-bromo-4-fluorophenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine
CID 43749540
1-imidazol-1-yl-3,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-2-amine
CID 43749571
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylcyclobutan-1-amine
CID 104859696
1-imidazol-1-yl-N-[1-(4-iodophenyl)ethyl]-3,3-dimethylbutan-2-amine
CID 43791898

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)ethane-1,2-diamine (CID 107445275) is N'-tert-butyl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)ethane-1,2-diamine is CC(C)(C)NCCNC(Cn1ccnc1)C(C)(C)C.
What is the InChIKey of N'-tert-butyl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)ethane-1,2-diamine?
The InChIKey is FHSFJIFCXZMZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-14(2,3)13(11-19-10-9-16-12-19)17-7-8-18-15(4,5)6/h9-10,12-13,17-18H,7-8,11H2,1-6H3.
What are the key properties of N'-tert-butyl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)ethane-1,2-diamine?
N'-tert-butyl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)ethane-1,2-diamine has a molecular weight of 266.43 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 107445275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).