3-N-tert-butyl-1-N,1-N-dimethylcyclobutane-1,3-diamine

C10H22N2 — CID 122629719

IUPAC3-N-tert-butyl-1-N,1-N-dimethylcyclobutane-1,3-diamine
SMILESCN(C)C1CC(NC(C)(C)C)C1
InChIInChI=1S/C10H22N2/c1-10(2,3)11-8-6-9(7-8)12(4)5/h8-9,11H,6-7H2,1-5H3
InChIKeyNXJMJYBUCIATAY-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.47
Rot. Bonds2

About 3-N-tert-butyl-1-N,1-N-dimethylcyclobutane-1,3-diamine

3-N-tert-butyl-1-N,1-N-dimethylcyclobutane-1,3-diamine (PubChem CID 122629719) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 3-N-tert-butyl-1-N,1-N-dimethylcyclobutane-1,3-diamine.

Molecular Properties

Compound Name3-N-tert-butyl-1-N,1-N-dimethylcyclobutane-1,3-diamine
PubChem CID122629719
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name3-N-tert-butyl-1-N,1-N-dimethylcyclobutane-1,3-diamine
SMILESCN(C)C1CC(NC(C)(C)C)C1
InChIInChI=1S/C10H22N2/c1-10(2,3)11-8-6-9(7-8)12(4)5/h8-9,11H,6-7H2,1-5H3
InChIKeyNXJMJYBUCIATAY-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-ditert-butylcyclohexane-1,4-diamine
CID 59732223
N-tert-butylcyclopropanamine;hydrochloride
CID 55284152
3,5-bis(tert-butylamino)cyclohexane-1-carboxylic acid
CID 58003870
N,8-ditert-butyl-8-azabicyclo[3.2.1]octan-3-amine
CID 134411103
trans-(1S,3S)-1-N,1-N,3-N-trimethylcyclohexane-1,3-diamine
CID 139514025
trans-(1S,3S)-1-N,1-N,3-N,3-N-tetramethylcyclohexane-1,3-diamine
CID 101240385
N-tert-butyloxetan-3-amine
CID 58469829
(1R,3S,4S,6S)-3-N-tert-butyl-4-N,4-N-dimethylbicyclo[4.1.0]heptane-3,4-diamine
CID 134429531
ethane;N,N,3-trimethylcyclobutan-1-amine
CID 170739396
1-N-(1-cyclopropylethyl)-3-N,3-N-dimethylcyclopentane-1,3-diamine
CID 115897235
ditert-butyl 5-(tert-butylamino)cyclohexane-1,3-dicarboxylate
CID 171748856
N-tert-butylcyclobutanamine;N-tert-butylcyclohexanamine;N-tert-butylcyclopentanamine;N-tert-butylcyclopropanamine
CID 158164936

Frequently Asked Questions

What is the IUPAC name of 3-N-tert-butyl-1-N,1-N-dimethylcyclobutane-1,3-diamine?
The IUPAC name of 3-N-tert-butyl-1-N,1-N-dimethylcyclobutane-1,3-diamine (CID 122629719) is 3-N-tert-butyl-1-N,1-N-dimethylcyclobutane-1,3-diamine.
What is the SMILES notation for 3-N-tert-butyl-1-N,1-N-dimethylcyclobutane-1,3-diamine?
The canonical SMILES for 3-N-tert-butyl-1-N,1-N-dimethylcyclobutane-1,3-diamine is CN(C)C1CC(NC(C)(C)C)C1.
What is the InChIKey of 3-N-tert-butyl-1-N,1-N-dimethylcyclobutane-1,3-diamine?
The InChIKey is NXJMJYBUCIATAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-10(2,3)11-8-6-9(7-8)12(4)5/h8-9,11H,6-7H2,1-5H3.
What are the key properties of 3-N-tert-butyl-1-N,1-N-dimethylcyclobutane-1,3-diamine?
3-N-tert-butyl-1-N,1-N-dimethylcyclobutane-1,3-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-tert-butyl-1-N,1-N-dimethylcyclobutane-1,3-diamine is sourced from PubChem (CID 122629719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).