N-butyl-N',2-dicyclohexyl-N-methylethanimidamide

C19H36N2 — CID 58238471

IUPACN-butyl-N',2-dicyclohexyl-N-methylethanimidamide
SMILESCCCCN(C)/C(CC1CCCCC1)=N/C1CCCCC1
InChIInChI=1S/C19H36N2/c1-3-4-15-21(2)19(16-17-11-7-5-8-12-17)20-18-13-9-6-10-14-18/h17-18H,3-16H2,1-2H3/b20-19+
InChIKeyACFKUFKACWRFKD-FMQUCBEESA-N
MW292.51 g/mol
LogP5.42
Rot. Bonds6

About N-butyl-N',2-dicyclohexyl-N-methylethanimidamide

N-butyl-N',2-dicyclohexyl-N-methylethanimidamide (PubChem CID 58238471) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is N-butyl-N',2-dicyclohexyl-N-methylethanimidamide.

Molecular Properties

Compound NameN-butyl-N',2-dicyclohexyl-N-methylethanimidamide
PubChem CID58238471
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC NameN-butyl-N',2-dicyclohexyl-N-methylethanimidamide
SMILESCCCCN(C)/C(CC1CCCCC1)=N/C1CCCCC1
InChIInChI=1S/C19H36N2/c1-3-4-15-21(2)19(16-17-11-7-5-8-12-17)20-18-13-9-6-10-14-18/h17-18H,3-16H2,1-2H3/b20-19+
InChIKeyACFKUFKACWRFKD-FMQUCBEESA-N
XLogP5.42
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N-butyl-N',2-dicyclohexyl-N-methylethanimidamide?
The IUPAC name of N-butyl-N',2-dicyclohexyl-N-methylethanimidamide (CID 58238471) is N-butyl-N',2-dicyclohexyl-N-methylethanimidamide.
What is the SMILES notation for N-butyl-N',2-dicyclohexyl-N-methylethanimidamide?
The canonical SMILES for N-butyl-N',2-dicyclohexyl-N-methylethanimidamide is CCCCN(C)/C(CC1CCCCC1)=N/C1CCCCC1.
What is the InChIKey of N-butyl-N',2-dicyclohexyl-N-methylethanimidamide?
The InChIKey is ACFKUFKACWRFKD-FMQUCBEESA-N. The full InChI is InChI=1S/C19H36N2/c1-3-4-15-21(2)19(16-17-11-7-5-8-12-17)20-18-13-9-6-10-14-18/h17-18H,3-16H2,1-2H3/b20-19+.
What are the key properties of N-butyl-N',2-dicyclohexyl-N-methylethanimidamide?
N-butyl-N',2-dicyclohexyl-N-methylethanimidamide has a molecular weight of 292.51 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N',2-dicyclohexyl-N-methylethanimidamide is sourced from PubChem (CID 58238471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).