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

C10H22N2O — CID 86087757

IUPACpropyl N,N'-di(propan-2-yl)carbamimidate
SMILESCCCO/C(=N\C(C)C)NC(C)C
InChIInChI=1S/C10H22N2O/c1-6-7-13-10(11-8(2)3)12-9(4)5/h8-9H,6-7H2,1-5H3,(H,11,12)
InChIKeyBXUCCZZAXCGAHN-UHFFFAOYSA-N
MW186.30 g/mol
LogP2.18
Rot. Bonds4

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

propyl N,N'-di(propan-2-yl)carbamimidate (PubChem CID 86087757) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is propyl N,N'-di(propan-2-yl)carbamimidate.

Molecular Properties

Compound Namepropyl N,N'-di(propan-2-yl)carbamimidate
PubChem CID86087757
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Namepropyl N,N'-di(propan-2-yl)carbamimidate
SMILESCCCO/C(=N\C(C)C)NC(C)C
InChIInChI=1S/C10H22N2O/c1-6-7-13-10(11-8(2)3)12-9(4)5/h8-9H,6-7H2,1-5H3,(H,11,12)
InChIKeyBXUCCZZAXCGAHN-UHFFFAOYSA-N
XLogP2.18
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 52.18
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 propyl N,N'-di(propan-2-yl)carbamimidate?
The IUPAC name of propyl N,N'-di(propan-2-yl)carbamimidate (CID 86087757) is propyl N,N'-di(propan-2-yl)carbamimidate.
What is the SMILES notation for propyl N,N'-di(propan-2-yl)carbamimidate?
The canonical SMILES for propyl N,N'-di(propan-2-yl)carbamimidate is CCCO/C(=N\C(C)C)NC(C)C.
What is the InChIKey of propyl N,N'-di(propan-2-yl)carbamimidate?
The InChIKey is BXUCCZZAXCGAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-6-7-13-10(11-8(2)3)12-9(4)5/h8-9H,6-7H2,1-5H3,(H,11,12).
What are the key properties of propyl N,N'-di(propan-2-yl)carbamimidate?
propyl N,N'-di(propan-2-yl)carbamimidate has a molecular weight of 186.30 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N,N'-di(propan-2-yl)carbamimidate is sourced from PubChem (CID 86087757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).