N,N-dimethyl-N'-pentyl-2-phenylethanimidamide

C15H24N2 — CID 525867

IUPACN,N-dimethyl-N'-pentyl-2-phenylethanimidamide
SMILESCCCCC/N=C(/Cc1ccccc1)N(C)C
InChIInChI=1S/C15H24N2/c1-4-5-9-12-16-15(17(2)3)13-14-10-7-6-8-11-14/h6-8,10-11H,4-5,9,12-13H2,1-3H3/b16-15-
InChIKeySACBYZLORDMQDQ-NXVVXOECSA-N
MW232.37 g/mol
LogP3.38
Rot. Bonds6

About N,N-dimethyl-N'-pentyl-2-phenylethanimidamide

N,N-dimethyl-N'-pentyl-2-phenylethanimidamide (PubChem CID 525867) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N,N-dimethyl-N'-pentyl-2-phenylethanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-pentyl-2-phenylethanimidamide
PubChem CID525867
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN,N-dimethyl-N'-pentyl-2-phenylethanimidamide
SMILESCCCCC/N=C(/Cc1ccccc1)N(C)C
InChIInChI=1S/C15H24N2/c1-4-5-9-12-16-15(17(2)3)13-14-10-7-6-8-11-14/h6-8,10-11H,4-5,9,12-13H2,1-3H3/b16-15-
InChIKeySACBYZLORDMQDQ-NXVVXOECSA-N
XLogP3.38
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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N,N-Dimethyl-N'-(phenylmethyl)methanimidamide
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CID 4053304
1-Benzyl-3-hexadecyl-2-methyl-4,5-dihydroimidazol-1-ium iodide
CID 145949854
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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-pentyl-2-phenylethanimidamide?
The IUPAC name of N,N-dimethyl-N'-pentyl-2-phenylethanimidamide (CID 525867) is N,N-dimethyl-N'-pentyl-2-phenylethanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-pentyl-2-phenylethanimidamide?
The canonical SMILES for N,N-dimethyl-N'-pentyl-2-phenylethanimidamide is CCCCC/N=C(/Cc1ccccc1)N(C)C.
What is the InChIKey of N,N-dimethyl-N'-pentyl-2-phenylethanimidamide?
The InChIKey is SACBYZLORDMQDQ-NXVVXOECSA-N. The full InChI is InChI=1S/C15H24N2/c1-4-5-9-12-16-15(17(2)3)13-14-10-7-6-8-11-14/h6-8,10-11H,4-5,9,12-13H2,1-3H3/b16-15-.
What are the key properties of N,N-dimethyl-N'-pentyl-2-phenylethanimidamide?
N,N-dimethyl-N'-pentyl-2-phenylethanimidamide has a molecular weight of 232.37 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-pentyl-2-phenylethanimidamide is sourced from PubChem (CID 525867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).