N-amino-4-tert-butyl-N'-phenylbenzenecarboximidamide

C17H21N3 — CID 61361963

IUPACN-amino-4-tert-butyl-N'-phenylbenzenecarboximidamide
SMILESCC(C)(C)c1ccc(/C(=N/c2ccccc2)NN)cc1
InChIInChI=1S/C17H21N3/c1-17(2,3)14-11-9-13(10-12-14)16(20-18)19-15-7-5-4-6-8-15/h4-12H,18H2,1-3H3,(H,19,20)
InChIKeyHVTHPOONTJQLMH-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.53
Rot. Bonds2

About N-amino-4-tert-butyl-N'-phenylbenzenecarboximidamide

N-amino-4-tert-butyl-N'-phenylbenzenecarboximidamide (PubChem CID 61361963) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-amino-4-tert-butyl-N'-phenylbenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-4-tert-butyl-N'-phenylbenzenecarboximidamide
PubChem CID61361963
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC NameN-amino-4-tert-butyl-N'-phenylbenzenecarboximidamide
SMILESCC(C)(C)c1ccc(/C(=N/c2ccccc2)NN)cc1
InChIInChI=1S/C17H21N3/c1-17(2,3)14-11-9-13(10-12-14)16(20-18)19-15-7-5-4-6-8-15/h4-12H,18H2,1-3H3,(H,19,20)
InChIKeyHVTHPOONTJQLMH-UHFFFAOYSA-N
XLogP3.53
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-4-methylsulfanyl-N'-phenylbenzenecarboximidamide
CID 79206202
N-amino-4-bromo-3-chloro-N'-phenylbenzenecarboximidamide
CID 81308007
N-amino-3-methoxy-N'-phenylbenzenecarboximidamide
CID 61363522
N-amino-N'-tert-butyl-4-(trifluoromethyl)benzenecarboximidamide
CID 61361101
N-amino-3-tert-butyl-N'-(3-methoxyphenyl)benzenecarboximidamide
CID 15981652
N-amino-2,3,4,5,6-pentafluoro-N'-phenylbenzenecarboximidamide
CID 61361144
methyl 2-(4-tert-butylphenyl)-2-phenyliminoethanedithioate
CID 15339008
N-amino-2-methylsulfanyl-N'-phenylbenzenecarboximidamide
CID 79206306
N-phenyl-1-[4-(trifluoromethyl)phenyl]ethan(15N)imine
CID 177400507
N-phenyl-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 11300013
1,3-diamino-2-phenylguanidine;hydroiodide
CID 12727461
4-tert-butylbenzohydrazide;hydrochloride
CID 175372968

Frequently Asked Questions

What is the IUPAC name of N-amino-4-tert-butyl-N'-phenylbenzenecarboximidamide?
The IUPAC name of N-amino-4-tert-butyl-N'-phenylbenzenecarboximidamide (CID 61361963) is N-amino-4-tert-butyl-N'-phenylbenzenecarboximidamide.
What is the SMILES notation for N-amino-4-tert-butyl-N'-phenylbenzenecarboximidamide?
The canonical SMILES for N-amino-4-tert-butyl-N'-phenylbenzenecarboximidamide is CC(C)(C)c1ccc(/C(=N/c2ccccc2)NN)cc1.
What is the InChIKey of N-amino-4-tert-butyl-N'-phenylbenzenecarboximidamide?
The InChIKey is HVTHPOONTJQLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-17(2,3)14-11-9-13(10-12-14)16(20-18)19-15-7-5-4-6-8-15/h4-12H,18H2,1-3H3,(H,19,20).
What are the key properties of N-amino-4-tert-butyl-N'-phenylbenzenecarboximidamide?
N-amino-4-tert-butyl-N'-phenylbenzenecarboximidamide has a molecular weight of 267.38 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-4-tert-butyl-N'-phenylbenzenecarboximidamide is sourced from PubChem (CID 61361963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).