N'-tert-butyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine

C12H28N2 — CID 88899076

IUPACN'-tert-butyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine
SMILESCC(C)(C)CCNCCNC(C)(C)C
InChIInChI=1S/C12H28N2/c1-11(2,3)7-8-13-9-10-14-12(4,5)6/h13-14H,7-10H2,1-6H3
InChIKeyYQUHDPHXSPQMGQ-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.40
Rot. Bonds5

About N'-tert-butyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine

N'-tert-butyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine (PubChem CID 88899076) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is N'-tert-butyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine
PubChem CID88899076
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC NameN'-tert-butyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine
SMILESCC(C)(C)CCNCCNC(C)(C)C
InChIInChI=1S/C12H28N2/c1-11(2,3)7-8-13-9-10-14-12(4,5)6/h13-14H,7-10H2,1-6H3
InChIKeyYQUHDPHXSPQMGQ-UHFFFAOYSA-N
XLogP2.40
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-tert-butyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54806858
copper;N,N'-ditert-butylethane-1,2-diamine;dibromide
CID 160892423
N'-tert-butyl-N-(2-cyclopropylethyl)ethane-1,2-diamine
CID 79257227
N-(3,3-dimethylbutyl)-3,3-dimethylpentan-1-amine
CID 170291391
N-(3-iodopropyl)-3,3-dimethylbutan-1-amine
CID 114503605
N'-tert-butyl-N-(methoxymethyl)ethane-1,2-diamine
CID 123157394
2-(3,3-dimethylbutylamino)ethylurea
CID 83109796
N-tert-butyl-3,3,7,7-tetramethyloctan-1-amine
CID 134314254
N-tert-butyl-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine
CID 79257058
N'-tert-butyl-N-[2-[methyl(propan-2-yl)amino]ethyl]ethane-1,2-diamine
CID 107445595
4-(3,3-dimethylbutylamino)butan-2-one
CID 115235867
1-N-[2-(tert-butylamino)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 107444652

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine (CID 88899076) is N'-tert-butyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine is CC(C)(C)CCNCCNC(C)(C)C.
What is the InChIKey of N'-tert-butyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine?
The InChIKey is YQUHDPHXSPQMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-11(2,3)7-8-13-9-10-14-12(4,5)6/h13-14H,7-10H2,1-6H3.
What are the key properties of N'-tert-butyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine?
N'-tert-butyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 88899076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).