4-hydroxybutyl N,N'-dicyclohexylcarbamimidate

C17H32N2O2 — CID 10935348

IUPAC4-hydroxybutyl N,N'-dicyclohexylcarbamimidate
SMILESOCCCCO/C(=N\C1CCCCC1)NC1CCCCC1
InChIInChI=1S/C17H32N2O2/c20-13-7-8-14-21-17(18-15-9-3-1-4-10-15)19-16-11-5-2-6-12-16/h15-16,20H,1-14H2,(H,18,19)
InChIKeyNFTZWGNPTPWVBQ-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.39
Rot. Bonds6

About 4-hydroxybutyl N,N'-dicyclohexylcarbamimidate

4-hydroxybutyl N,N'-dicyclohexylcarbamimidate (PubChem CID 10935348) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 4-hydroxybutyl N,N'-dicyclohexylcarbamimidate.

Molecular Properties

Compound Name4-hydroxybutyl N,N'-dicyclohexylcarbamimidate
PubChem CID10935348
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name4-hydroxybutyl N,N'-dicyclohexylcarbamimidate
SMILESOCCCCO/C(=N\C1CCCCC1)NC1CCCCC1
InChIInChI=1S/C17H32N2O2/c20-13-7-8-14-21-17(18-15-9-3-1-4-10-15)19-16-11-5-2-6-12-16/h15-16,20H,1-14H2,(H,18,19)
InChIKeyNFTZWGNPTPWVBQ-UHFFFAOYSA-N
XLogP3.39
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

2-phenylethyl N,N'-dicyclohexylcarbamimidate
CID 11727199
propan-2-yl N,N'-dicyclohexylcarbamimidate
CID 10945389
aziridin-2-yl N,N'-dicyclohexylcarbamimidate
CID 170575324
(2-chlorophenyl)methyl N,N'-dicyclohexylcarbamimidate
CID 141252605
(N,N'-dicyclohexylcarbamimidoyl)peroxycarbamothioic S-acid
CID 87475251
1-amino-3-cyclobutyl-2-cyclohexylguanidine
CID 104882648
N-cyclohexyl-5-hydroxypentanamide
CID 11367641
benzhydryl N,N'-dicyclohexylcarbamimidate
CID 142630234
(N,N'-dicyclohexylcarbamimidoyl) (E)-octadec-9-enoate
CID 10929055
octadecyl N-cyclohexylcarbamate
CID 70449091
octyl N-cyclohexylcarbamate
CID 141434119
(benzylideneamino) N,N'-dicyclohexylcarbamimidate
CID 91602803

Frequently Asked Questions

What is the IUPAC name of 4-hydroxybutyl N,N'-dicyclohexylcarbamimidate?
The IUPAC name of 4-hydroxybutyl N,N'-dicyclohexylcarbamimidate (CID 10935348) is 4-hydroxybutyl N,N'-dicyclohexylcarbamimidate.
What is the SMILES notation for 4-hydroxybutyl N,N'-dicyclohexylcarbamimidate?
The canonical SMILES for 4-hydroxybutyl N,N'-dicyclohexylcarbamimidate is OCCCCO/C(=N\C1CCCCC1)NC1CCCCC1.
What is the InChIKey of 4-hydroxybutyl N,N'-dicyclohexylcarbamimidate?
The InChIKey is NFTZWGNPTPWVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c20-13-7-8-14-21-17(18-15-9-3-1-4-10-15)19-16-11-5-2-6-12-16/h15-16,20H,1-14H2,(H,18,19).
What are the key properties of 4-hydroxybutyl N,N'-dicyclohexylcarbamimidate?
4-hydroxybutyl N,N'-dicyclohexylcarbamimidate has a molecular weight of 296.45 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybutyl N,N'-dicyclohexylcarbamimidate is sourced from PubChem (CID 10935348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).