N-butyl-N',3-dicyclohexyl-N-methylpropanimidamide

C20H38N2 — CID 91124161

IUPACN-butyl-N',3-dicyclohexyl-N-methylpropanimidamide
SMILESCCCCN(C)/C(CCC1CCCCC1)=N/C1CCCCC1
InChIInChI=1S/C20H38N2/c1-3-4-17-22(2)20(21-19-13-9-6-10-14-19)16-15-18-11-7-5-8-12-18/h18-19H,3-17H2,1-2H3/b21-20+
InChIKeyJQUANPXIQNDEIN-QZQOTICOSA-N
MW306.54 g/mol
LogP5.81
Rot. Bonds7

About N-butyl-N',3-dicyclohexyl-N-methylpropanimidamide

N-butyl-N',3-dicyclohexyl-N-methylpropanimidamide (PubChem CID 91124161) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is N-butyl-N',3-dicyclohexyl-N-methylpropanimidamide.

Molecular Properties

Compound NameN-butyl-N',3-dicyclohexyl-N-methylpropanimidamide
PubChem CID91124161
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC NameN-butyl-N',3-dicyclohexyl-N-methylpropanimidamide
SMILESCCCCN(C)/C(CCC1CCCCC1)=N/C1CCCCC1
InChIInChI=1S/C20H38N2/c1-3-4-17-22(2)20(21-19-13-9-6-10-14-19)16-15-18-11-7-5-8-12-18/h18-19H,3-17H2,1-2H3/b21-20+
InChIKeyJQUANPXIQNDEIN-QZQOTICOSA-N
XLogP5.81
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.54
LogP ≤ 55.81
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',3-dicyclohexyl-N-methylpropanimidamide?
The IUPAC name of N-butyl-N',3-dicyclohexyl-N-methylpropanimidamide (CID 91124161) is N-butyl-N',3-dicyclohexyl-N-methylpropanimidamide.
What is the SMILES notation for N-butyl-N',3-dicyclohexyl-N-methylpropanimidamide?
The canonical SMILES for N-butyl-N',3-dicyclohexyl-N-methylpropanimidamide is CCCCN(C)/C(CCC1CCCCC1)=N/C1CCCCC1.
What is the InChIKey of N-butyl-N',3-dicyclohexyl-N-methylpropanimidamide?
The InChIKey is JQUANPXIQNDEIN-QZQOTICOSA-N. The full InChI is InChI=1S/C20H38N2/c1-3-4-17-22(2)20(21-19-13-9-6-10-14-19)16-15-18-11-7-5-8-12-18/h18-19H,3-17H2,1-2H3/b21-20+.
What are the key properties of N-butyl-N',3-dicyclohexyl-N-methylpropanimidamide?
N-butyl-N',3-dicyclohexyl-N-methylpropanimidamide has a molecular weight of 306.54 g/mol, XLogP of 5.81, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N',3-dicyclohexyl-N-methylpropanimidamide is sourced from PubChem (CID 91124161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).