N'-butyl-N,N-dimethyl-2-phenylethanimidamide

C14H22N2 — CID 525860

IUPACN'-butyl-N,N-dimethyl-2-phenylethanimidamide
SMILESCCCC/N=C(/Cc1ccccc1)N(C)C
InChIInChI=1S/C14H22N2/c1-4-5-11-15-14(16(2)3)12-13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3/b15-14-
InChIKeyPFQZOWUKYWMPIU-PFONDFGASA-N
MW218.34 g/mol
LogP2.99
Rot. Bonds5

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

N'-butyl-N,N-dimethyl-2-phenylethanimidamide (PubChem CID 525860) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N'-butyl-N,N-dimethyl-2-phenylethanimidamide.

Molecular Properties

Compound NameN'-butyl-N,N-dimethyl-2-phenylethanimidamide
PubChem CID525860
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN'-butyl-N,N-dimethyl-2-phenylethanimidamide
SMILESCCCC/N=C(/Cc1ccccc1)N(C)C
InChIInChI=1S/C14H22N2/c1-4-5-11-15-14(16(2)3)12-13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3/b15-14-
InChIKeyPFQZOWUKYWMPIU-PFONDFGASA-N
XLogP2.99
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.99
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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CID 5504
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CID 47570
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CID 4345593
2-Imino-6-benzylpiperidine
CID 10656792
N,N-Dimethyl-N'-diphenylmethyl-acetamidine
CID 42117
Formamidine, N,N-dimethyl-N'-phenethyl-
CID 27487
N,N-Dimethyl-N'-(phenylmethyl)methanimidamide
CID 523875
N,N-diethyl-N-(3-methyl-5-phenyl-3H-azepin-2-yl)amine
CID 4053304
1-Benzyl-3-hexadecyl-2-methyl-4,5-dihydroimidazol-1-ium iodide
CID 145949854
2-benzyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
CID 17793168
(2E)-N'-benzyl-2-hydroxyimino-N,N-dimethylethanimidamide;hydrochloride
CID 136152731
Benzeneethanamine, N-(3-methylbutylidene)-
CID 535665

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N,N-dimethyl-2-phenylethanimidamide?
The IUPAC name of N'-butyl-N,N-dimethyl-2-phenylethanimidamide (CID 525860) is N'-butyl-N,N-dimethyl-2-phenylethanimidamide.
What is the SMILES notation for N'-butyl-N,N-dimethyl-2-phenylethanimidamide?
The canonical SMILES for N'-butyl-N,N-dimethyl-2-phenylethanimidamide is CCCC/N=C(/Cc1ccccc1)N(C)C.
What is the InChIKey of N'-butyl-N,N-dimethyl-2-phenylethanimidamide?
The InChIKey is PFQZOWUKYWMPIU-PFONDFGASA-N. The full InChI is InChI=1S/C14H22N2/c1-4-5-11-15-14(16(2)3)12-13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3/b15-14-.
What are the key properties of N'-butyl-N,N-dimethyl-2-phenylethanimidamide?
N'-butyl-N,N-dimethyl-2-phenylethanimidamide has a molecular weight of 218.34 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N,N-dimethyl-2-phenylethanimidamide is sourced from PubChem (CID 525860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).