N'-[2-[butan-2-yl(methyl)amino]ethyl]-N-tert-butylmethanimidamide

C12H27N3 — CID 153452857

IUPACN'-[2-[butan-2-yl(methyl)amino]ethyl]-N-tert-butylmethanimidamide
SMILESCCC(C)N(C)CC/N=C/NC(C)(C)C
InChIInChI=1S/C12H27N3/c1-7-11(2)15(6)9-8-13-10-14-12(3,4)5/h10-11H,7-9H2,1-6H3,(H,13,14)
InChIKeyWYYLZNGSWPOMCW-UHFFFAOYSA-N
MW213.37 g/mol
LogP2.13
Rot. Bonds6

About N'-[2-[butan-2-yl(methyl)amino]ethyl]-N-tert-butylmethanimidamide

N'-[2-[butan-2-yl(methyl)amino]ethyl]-N-tert-butylmethanimidamide (PubChem CID 153452857) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N'-[2-[butan-2-yl(methyl)amino]ethyl]-N-tert-butylmethanimidamide.

Molecular Properties

Compound NameN'-[2-[butan-2-yl(methyl)amino]ethyl]-N-tert-butylmethanimidamide
PubChem CID153452857
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN'-[2-[butan-2-yl(methyl)amino]ethyl]-N-tert-butylmethanimidamide
SMILESCCC(C)N(C)CC/N=C/NC(C)(C)C
InChIInChI=1S/C12H27N3/c1-7-11(2)15(6)9-8-13-10-14-12(3,4)5/h10-11H,7-9H2,1-6H3,(H,13,14)
InChIKeyWYYLZNGSWPOMCW-UHFFFAOYSA-N
XLogP2.13
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[butan-2-yl(methyl)amino]ethyl]-N-tert-butylmethanimidamide?
The IUPAC name of N'-[2-[butan-2-yl(methyl)amino]ethyl]-N-tert-butylmethanimidamide (CID 153452857) is N'-[2-[butan-2-yl(methyl)amino]ethyl]-N-tert-butylmethanimidamide.
What is the SMILES notation for N'-[2-[butan-2-yl(methyl)amino]ethyl]-N-tert-butylmethanimidamide?
The canonical SMILES for N'-[2-[butan-2-yl(methyl)amino]ethyl]-N-tert-butylmethanimidamide is CCC(C)N(C)CC/N=C/NC(C)(C)C.
What is the InChIKey of N'-[2-[butan-2-yl(methyl)amino]ethyl]-N-tert-butylmethanimidamide?
The InChIKey is WYYLZNGSWPOMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-7-11(2)15(6)9-8-13-10-14-12(3,4)5/h10-11H,7-9H2,1-6H3,(H,13,14).
What are the key properties of N'-[2-[butan-2-yl(methyl)amino]ethyl]-N-tert-butylmethanimidamide?
N'-[2-[butan-2-yl(methyl)amino]ethyl]-N-tert-butylmethanimidamide has a molecular weight of 213.37 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[butan-2-yl(methyl)amino]ethyl]-N-tert-butylmethanimidamide is sourced from PubChem (CID 153452857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).