N-tert-butyl-1-cyclobutylmethanimine

C9H17N — CID 14932688

IUPACN-tert-butyl-1-cyclobutylmethanimine
SMILESCC(C)(C)/N=C/C1CCC1
InChIInChI=1S/C9H17N/c1-9(2,3)10-7-8-5-4-6-8/h7-8H,4-6H2,1-3H3/b10-7+
InChIKeyQBNQGBZEQFYRAD-JXMROGBWSA-N
MW139.24 g/mol
LogP2.66
Rot. Bonds1

About N-tert-butyl-1-cyclobutylmethanimine

N-tert-butyl-1-cyclobutylmethanimine (PubChem CID 14932688) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-tert-butyl-1-cyclobutylmethanimine.

Molecular Properties

Compound NameN-tert-butyl-1-cyclobutylmethanimine
PubChem CID14932688
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-tert-butyl-1-cyclobutylmethanimine
SMILESCC(C)(C)/N=C/C1CCC1
InChIInChI=1S/C9H17N/c1-9(2,3)10-7-8-5-4-6-8/h7-8H,4-6H2,1-3H3/b10-7+
InChIKeyQBNQGBZEQFYRAD-JXMROGBWSA-N
XLogP2.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(NE,R)-N-(cyclobutylmethylidene)-2-methylpropane-2-sulfinamide
CID 118440743
(E)-cyclobutylmethylidenehydrazine
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CID 174022653
N-tert-butyl-1-(1-tert-butyl-3-methylaziridin-2-yl)methanimine
CID 12847761
N-(cyclopropylmethylidene)-2-methylpropane-2-sulfinamide
CID 66701339
N-tert-butyl-1-[(3R)-3-methylpiperidin-1-yl]methanimine
CID 100938866
1-[(E)-2-cyclobutylethenyl]-3-methylcyclohexane
CID 142973794
N-tert-butyl-1-pyrrolidin-1-ylmethanimine
CID 551065
(E)-1-(4-methylcyclohexyl)-N-[(E)-(4-methylcyclohexyl)methylideneamino]methanimine
CID 20730842
3-tert-butylimino-1-cyclopropylprop-1-en-1-amine
CID 73110243
N-tert-butyl-1-(1-methylcyclopentyl)methanimine
CID 11019239
1-(6-bromo-1,2-dihydropyridin-2-yl)-N-tert-butylmethanimine
CID 130319784

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-cyclobutylmethanimine?
The IUPAC name of N-tert-butyl-1-cyclobutylmethanimine (CID 14932688) is N-tert-butyl-1-cyclobutylmethanimine.
What is the SMILES notation for N-tert-butyl-1-cyclobutylmethanimine?
The canonical SMILES for N-tert-butyl-1-cyclobutylmethanimine is CC(C)(C)/N=C/C1CCC1.
What is the InChIKey of N-tert-butyl-1-cyclobutylmethanimine?
The InChIKey is QBNQGBZEQFYRAD-JXMROGBWSA-N. The full InChI is InChI=1S/C9H17N/c1-9(2,3)10-7-8-5-4-6-8/h7-8H,4-6H2,1-3H3/b10-7+.
What are the key properties of N-tert-butyl-1-cyclobutylmethanimine?
N-tert-butyl-1-cyclobutylmethanimine has a molecular weight of 139.24 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-cyclobutylmethanimine is sourced from PubChem (CID 14932688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).