propan-2-yl N,N'-dicyclohexylcarbamimidate

C16H30N2O — CID 10945389

IUPACpropan-2-yl N,N'-dicyclohexylcarbamimidate
SMILESCC(C)O/C(=N/C1CCCCC1)NC1CCCCC1
InChIInChI=1S/C16H30N2O/c1-13(2)19-16(17-14-9-5-3-6-10-14)18-15-11-7-4-8-12-15/h13-15H,3-12H2,1-2H3,(H,17,18)
InChIKeyULSDVOVRMGDHBZ-UHFFFAOYSA-N
MW266.43 g/mol
LogP4.02
Rot. Bonds3

About propan-2-yl N,N'-dicyclohexylcarbamimidate

propan-2-yl N,N'-dicyclohexylcarbamimidate (PubChem CID 10945389) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is propan-2-yl N,N'-dicyclohexylcarbamimidate.

Molecular Properties

Compound Namepropan-2-yl N,N'-dicyclohexylcarbamimidate
PubChem CID10945389
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Namepropan-2-yl N,N'-dicyclohexylcarbamimidate
SMILESCC(C)O/C(=N/C1CCCCC1)NC1CCCCC1
InChIInChI=1S/C16H30N2O/c1-13(2)19-16(17-14-9-5-3-6-10-14)18-15-11-7-4-8-12-15/h13-15H,3-12H2,1-2H3,(H,17,18)
InChIKeyULSDVOVRMGDHBZ-UHFFFAOYSA-N
XLogP4.02
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 54.02
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

benzhydryl N,N'-dicyclohexylcarbamimidate
CID 142630234
aziridin-2-yl N,N'-dicyclohexylcarbamimidate
CID 170575324
propan-2-yl N-cyclooctylcarbamate
CID 116653938
4-hydroxybutyl N,N'-dicyclohexylcarbamimidate
CID 10935348
(N,N'-dicyclohexylcarbamimidoyl)peroxycarbamothioic S-acid
CID 87475251
2,3-dicyclohexyl-1-methyl-1-(2-methylpropyl)guanidine
CID 89442983
1-(1-aminopropan-2-yl)-2,3-dicyclohexylguanidine
CID 122691193
(benzylideneamino) N,N'-dicyclohexylcarbamimidate
CID 91602803
2-phenylethyl N,N'-dicyclohexylcarbamimidate
CID 11727199
(N,N'-dicyclohexylcarbamimidoyl) (2E)-2-(acetylhydrazinylidene)-2-phenylacetate
CID 6244861
2,3-dicyclohexyl-1,1-bis(trimethylsilyl)guanidine
CID 15398506
N,N'-dicyclohexylaziridine-1-carboximidamide
CID 566641

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N,N'-dicyclohexylcarbamimidate?
The IUPAC name of propan-2-yl N,N'-dicyclohexylcarbamimidate (CID 10945389) is propan-2-yl N,N'-dicyclohexylcarbamimidate.
What is the SMILES notation for propan-2-yl N,N'-dicyclohexylcarbamimidate?
The canonical SMILES for propan-2-yl N,N'-dicyclohexylcarbamimidate is CC(C)O/C(=N/C1CCCCC1)NC1CCCCC1.
What is the InChIKey of propan-2-yl N,N'-dicyclohexylcarbamimidate?
The InChIKey is ULSDVOVRMGDHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-13(2)19-16(17-14-9-5-3-6-10-14)18-15-11-7-4-8-12-15/h13-15H,3-12H2,1-2H3,(H,17,18).
What are the key properties of propan-2-yl N,N'-dicyclohexylcarbamimidate?
propan-2-yl N,N'-dicyclohexylcarbamimidate has a molecular weight of 266.43 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N,N'-dicyclohexylcarbamimidate is sourced from PubChem (CID 10945389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).