N-butyl-2,2-dimethyl-N-(2-methylpropyl)-N'-phenylpropanimidamide

C19H32N2 — CID 140611359

IUPACN-butyl-2,2-dimethyl-N-(2-methylpropyl)-N'-phenylpropanimidamide
SMILESCCCCN(CC(C)C)/C(=N/c1ccccc1)C(C)(C)C
InChIInChI=1S/C19H32N2/c1-7-8-14-21(15-16(2)3)18(19(4,5)6)20-17-12-10-9-11-13-17/h9-13,16H,7-8,14-15H2,1-6H3/b20-18+
InChIKeyXYSOBFWRDSZKOA-CZIZESTLSA-N
MW288.48 g/mol
LogP5.52
Rot. Bonds6

About N-butyl-2,2-dimethyl-N-(2-methylpropyl)-N'-phenylpropanimidamide

N-butyl-2,2-dimethyl-N-(2-methylpropyl)-N'-phenylpropanimidamide (PubChem CID 140611359) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-butyl-2,2-dimethyl-N-(2-methylpropyl)-N'-phenylpropanimidamide.

Molecular Properties

Compound NameN-butyl-2,2-dimethyl-N-(2-methylpropyl)-N'-phenylpropanimidamide
PubChem CID140611359
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-butyl-2,2-dimethyl-N-(2-methylpropyl)-N'-phenylpropanimidamide
SMILESCCCCN(CC(C)C)/C(=N/c1ccccc1)C(C)(C)C
InChIInChI=1S/C19H32N2/c1-7-8-14-21(15-16(2)3)18(19(4,5)6)20-17-12-10-9-11-13-17/h9-13,16H,7-8,14-15H2,1-6H3/b20-18+
InChIKeyXYSOBFWRDSZKOA-CZIZESTLSA-N
XLogP5.52
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.52
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-2,2-dimethyl-N-(2-methylpropyl)-N'-phenylpropanimidamide?
The IUPAC name of N-butyl-2,2-dimethyl-N-(2-methylpropyl)-N'-phenylpropanimidamide (CID 140611359) is N-butyl-2,2-dimethyl-N-(2-methylpropyl)-N'-phenylpropanimidamide.
What is the SMILES notation for N-butyl-2,2-dimethyl-N-(2-methylpropyl)-N'-phenylpropanimidamide?
The canonical SMILES for N-butyl-2,2-dimethyl-N-(2-methylpropyl)-N'-phenylpropanimidamide is CCCCN(CC(C)C)/C(=N/c1ccccc1)C(C)(C)C.
What is the InChIKey of N-butyl-2,2-dimethyl-N-(2-methylpropyl)-N'-phenylpropanimidamide?
The InChIKey is XYSOBFWRDSZKOA-CZIZESTLSA-N. The full InChI is InChI=1S/C19H32N2/c1-7-8-14-21(15-16(2)3)18(19(4,5)6)20-17-12-10-9-11-13-17/h9-13,16H,7-8,14-15H2,1-6H3/b20-18+.
What are the key properties of N-butyl-2,2-dimethyl-N-(2-methylpropyl)-N'-phenylpropanimidamide?
N-butyl-2,2-dimethyl-N-(2-methylpropyl)-N'-phenylpropanimidamide has a molecular weight of 288.48 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,2-dimethyl-N-(2-methylpropyl)-N'-phenylpropanimidamide is sourced from PubChem (CID 140611359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).