butyl N,N'-di(propan-2-yl)carbamimidate

C11H24N2O — CID 21274099

IUPACbutyl N,N'-di(propan-2-yl)carbamimidate
SMILESCCCCO/C(=N\C(C)C)NC(C)C
InChIInChI=1S/C11H24N2O/c1-6-7-8-14-11(12-9(2)3)13-10(4)5/h9-10H,6-8H2,1-5H3,(H,12,13)
InChIKeyOPPHBNQMNXKLLJ-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.57
Rot. Bonds5

About butyl N,N'-di(propan-2-yl)carbamimidate

butyl N,N'-di(propan-2-yl)carbamimidate (PubChem CID 21274099) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is butyl N,N'-di(propan-2-yl)carbamimidate.

Molecular Properties

Compound Namebutyl N,N'-di(propan-2-yl)carbamimidate
PubChem CID21274099
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Namebutyl N,N'-di(propan-2-yl)carbamimidate
SMILESCCCCO/C(=N\C(C)C)NC(C)C
InChIInChI=1S/C11H24N2O/c1-6-7-8-14-11(12-9(2)3)13-10(4)5/h9-10H,6-8H2,1-5H3,(H,12,13)
InChIKeyOPPHBNQMNXKLLJ-UHFFFAOYSA-N
XLogP2.57
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 butyl N,N'-di(propan-2-yl)carbamimidate?
The IUPAC name of butyl N,N'-di(propan-2-yl)carbamimidate (CID 21274099) is butyl N,N'-di(propan-2-yl)carbamimidate.
What is the SMILES notation for butyl N,N'-di(propan-2-yl)carbamimidate?
The canonical SMILES for butyl N,N'-di(propan-2-yl)carbamimidate is CCCCO/C(=N\C(C)C)NC(C)C.
What is the InChIKey of butyl N,N'-di(propan-2-yl)carbamimidate?
The InChIKey is OPPHBNQMNXKLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-6-7-8-14-11(12-9(2)3)13-10(4)5/h9-10H,6-8H2,1-5H3,(H,12,13).
What are the key properties of butyl N,N'-di(propan-2-yl)carbamimidate?
butyl N,N'-di(propan-2-yl)carbamimidate has a molecular weight of 200.33 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N,N'-di(propan-2-yl)carbamimidate is sourced from PubChem (CID 21274099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).