2-methylpropyl N,N'-dipropylcarbamimidate

C11H24N2O — CID 139525993

IUPAC2-methylpropyl N,N'-dipropylcarbamimidate
SMILESCCC/N=C(/NCCC)OCC(C)C
InChIInChI=1S/C11H24N2O/c1-5-7-12-11(13-8-6-2)14-9-10(3)4/h10H,5-9H2,1-4H3,(H,12,13)
InChIKeyLGUSCYIIIYAURV-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.42
Rot. Bonds6

About 2-methylpropyl N,N'-dipropylcarbamimidate

2-methylpropyl N,N'-dipropylcarbamimidate (PubChem CID 139525993) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-methylpropyl N,N'-dipropylcarbamimidate.

Molecular Properties

Compound Name2-methylpropyl N,N'-dipropylcarbamimidate
PubChem CID139525993
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name2-methylpropyl N,N'-dipropylcarbamimidate
SMILESCCC/N=C(/NCCC)OCC(C)C
InChIInChI=1S/C11H24N2O/c1-5-7-12-11(13-8-6-2)14-9-10(3)4/h10H,5-9H2,1-4H3,(H,12,13)
InChIKeyLGUSCYIIIYAURV-UHFFFAOYSA-N
XLogP2.42
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.42
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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Related Compounds

butyl N,N'-dibutylcarbamimidate
CID 239296
ethyl N,N'-diisopropylcarbamimidate
CID 20470583
N-pentyl-5,6-dihydro-4H-1,3-oxazin-2-amine
CID 20523790
N-propyl-5,6-dihydro-4H-1,3-oxazin-2-amine
CID 20523857
N-butyl-5,6-dihydro-4H-1,3-oxazin-2-amine
CID 20523859
butyl N,N'-di(propan-2-yl)carbamimidate
CID 21274099
2-Ethoxy-1,4,5,6-tetrahydropyrimidine
CID 22076682
N-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 60053893
propyl N,N'-di(propan-2-yl)carbamimidate
CID 86087757
pentyl N'-[3-(dimethylamino)propyl]-N-ethylcarbamimidate
CID 87118121
tert-butyl N'-methyl-N-(2-methylpropyl)carbamimidate
CID 89986440
[Ethoxy(ethylamino)methylidene]-diethylazanium
CID 90766260

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N,N'-dipropylcarbamimidate?
The IUPAC name of 2-methylpropyl N,N'-dipropylcarbamimidate (CID 139525993) is 2-methylpropyl N,N'-dipropylcarbamimidate.
What is the SMILES notation for 2-methylpropyl N,N'-dipropylcarbamimidate?
The canonical SMILES for 2-methylpropyl N,N'-dipropylcarbamimidate is CCC/N=C(/NCCC)OCC(C)C.
What is the InChIKey of 2-methylpropyl N,N'-dipropylcarbamimidate?
The InChIKey is LGUSCYIIIYAURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-5-7-12-11(13-8-6-2)14-9-10(3)4/h10H,5-9H2,1-4H3,(H,12,13).
What are the key properties of 2-methylpropyl N,N'-dipropylcarbamimidate?
2-methylpropyl N,N'-dipropylcarbamimidate has a molecular weight of 200.33 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N,N'-dipropylcarbamimidate is sourced from PubChem (CID 139525993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).