N,2,2-trimethyl-N-(2-phenylethyl)propanimidamide

C14H22N2 — CID 65487169

IUPACN,2,2-trimethyl-N-(2-phenylethyl)propanimidamide
SMILES[H]/N=C(/N(C)CCc1ccccc1)C(C)(C)C
InChIInChI=1S/C14H22N2/c1-14(2,3)13(15)16(4)11-10-12-8-6-5-7-9-12/h5-9,15H,10-11H2,1-4H3/b15-13+
InChIKeyPZVPQGMBPLATJN-FYWRMAATSA-N
MW218.34 g/mol
LogP3.18
Rot. Bonds3

About N,2,2-trimethyl-N-(2-phenylethyl)propanimidamide

N,2,2-trimethyl-N-(2-phenylethyl)propanimidamide (PubChem CID 65487169) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N,2,2-trimethyl-N-(2-phenylethyl)propanimidamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N-(2-phenylethyl)propanimidamide
PubChem CID65487169
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN,2,2-trimethyl-N-(2-phenylethyl)propanimidamide
SMILES[H]/N=C(/N(C)CCc1ccccc1)C(C)(C)C
InChIInChI=1S/C14H22N2/c1-14(2,3)13(15)16(4)11-10-12-8-6-5-7-9-12/h5-9,15H,10-11H2,1-4H3/b15-13+
InChIKeyPZVPQGMBPLATJN-FYWRMAATSA-N
XLogP3.18
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
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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Related Compounds

N,2,2-trimethyl-N-(2-phenylethyl)propanethioamide
CID 12606841
N-methyl-N-(2-phenylethyl)prop-1-en-2-amine
CID 118670285
N-(2-hydroxyethyl)-N,2,2-trimethylpropanimidamide
CID 161343913
N,2-dimethyl-2-(methylamino)-N-(2-phenylethyl)propanamide
CID 62846352
1-chloro-N-methyl-N-(2-phenylethyl)ethenamine
CID 91113083
N-[3-(dimethylamino)propyl]-N,2,2-trimethylpropanimidamide
CID 63726393
1-methyl-1-(3-phenylpropyl)guanidine;hydrochloride
CID 141469460
3-amino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 119706013
3-amino-N,2,2-trimethyl-N-(2-phenylethyl)-3-sulfanylidenepropanamide
CID 65487462
2-bromo-N,2-dimethyl-N-(4-phenylbutyl)propanamide
CID 114328216
3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide
CID 77070473
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-(2-phenylethyl)propanimidamide?
The IUPAC name of N,2,2-trimethyl-N-(2-phenylethyl)propanimidamide (CID 65487169) is N,2,2-trimethyl-N-(2-phenylethyl)propanimidamide.
What is the SMILES notation for N,2,2-trimethyl-N-(2-phenylethyl)propanimidamide?
The canonical SMILES for N,2,2-trimethyl-N-(2-phenylethyl)propanimidamide is [H]/N=C(/N(C)CCc1ccccc1)C(C)(C)C.
What is the InChIKey of N,2,2-trimethyl-N-(2-phenylethyl)propanimidamide?
The InChIKey is PZVPQGMBPLATJN-FYWRMAATSA-N. The full InChI is InChI=1S/C14H22N2/c1-14(2,3)13(15)16(4)11-10-12-8-6-5-7-9-12/h5-9,15H,10-11H2,1-4H3/b15-13+.
What are the key properties of N,2,2-trimethyl-N-(2-phenylethyl)propanimidamide?
N,2,2-trimethyl-N-(2-phenylethyl)propanimidamide has a molecular weight of 218.34 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-(2-phenylethyl)propanimidamide is sourced from PubChem (CID 65487169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).