4-tert-butyl-N,N-di(propan-2-yl)benzenecarboximidamide;hydrochloride

C17H29ClN2 — CID 155895383

IUPAC4-tert-butyl-N,N-di(propan-2-yl)benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(/c1ccc(C(C)(C)C)cc1)N(C(C)C)C(C)C
InChIInChI=1S/C17H28N2.ClH/c1-12(2)19(13(3)4)16(18)14-8-10-15(11-9-14)17(5,6)7;/h8-13,18H,1-7H3;1H/b18-16-;
InChIKeyUPKAZFCXHLBZPT-FTUZMNKQSA-N
MW296.89 g/mol
LogP4.85
Rot. Bonds3

About 4-tert-butyl-N,N-di(propan-2-yl)benzenecarboximidamide;hydrochloride

4-tert-butyl-N,N-di(propan-2-yl)benzenecarboximidamide;hydrochloride (PubChem CID 155895383) has the molecular formula C17H29ClN2 and a molecular weight of 296.89 g/mol. Its IUPAC name is 4-tert-butyl-N,N-di(propan-2-yl)benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name4-tert-butyl-N,N-di(propan-2-yl)benzenecarboximidamide;hydrochloride
PubChem CID155895383
Molecular FormulaC17H29ClN2
Molecular Weight296.89 g/mol
Exact Mass296.20
IUPAC Name4-tert-butyl-N,N-di(propan-2-yl)benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(/c1ccc(C(C)(C)C)cc1)N(C(C)C)C(C)C
InChIInChI=1S/C17H28N2.ClH/c1-12(2)19(13(3)4)16(18)14-8-10-15(11-9-14)17(5,6)7;/h8-13,18H,1-7H3;1H/b18-16-;
InChIKeyUPKAZFCXHLBZPT-FTUZMNKQSA-N
XLogP4.85
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.89
LogP ≤ 54.85
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

4-tert-butyl-N,N-dimethylbenzenecarboximidamide;4-tert-butyl-N'-methylbenzenecarboximidamide
CID 160588408
1-(4-tert-butylphenyl)ethanimine
CID 20718021
2,6-dichloro-N,N-di(propan-2-yl)benzenecarboximidamide
CID 67215168
4-(N,N-dimethylcarbamimidoyl)benzoic acid
CID 4913141
4-tert-butyl-N,N'-di(propan-2-yl)benzohydrazide
CID 163788626
1-(4-tert-butylphenyl)-1-methylguanidine
CID 139724615
1-tert-butyl-4-[3-(4-tert-butylphenyl)buta-1,3-dien-2-yl]benzene
CID 102332015
(Z)-1,2-bis(4-tert-butylphenyl)ethene-1,2-dithiolate
CID 102081798
2-bromo-1-(4-tert-butylphenyl)propan-1-one
CID 43144127
2-[acetyl(propan-2-yl)amino]-2-(4-tert-butylphenyl)acetic acid
CID 63703523
N,N-di(propan-2-yl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 15986677
(4-tert-butylphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanimine
CID 23384243

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N,N-di(propan-2-yl)benzenecarboximidamide;hydrochloride?
The IUPAC name of 4-tert-butyl-N,N-di(propan-2-yl)benzenecarboximidamide;hydrochloride (CID 155895383) is 4-tert-butyl-N,N-di(propan-2-yl)benzenecarboximidamide;hydrochloride.
What is the SMILES notation for 4-tert-butyl-N,N-di(propan-2-yl)benzenecarboximidamide;hydrochloride?
The canonical SMILES for 4-tert-butyl-N,N-di(propan-2-yl)benzenecarboximidamide;hydrochloride is Cl.[H]/N=C(/c1ccc(C(C)(C)C)cc1)N(C(C)C)C(C)C.
What is the InChIKey of 4-tert-butyl-N,N-di(propan-2-yl)benzenecarboximidamide;hydrochloride?
The InChIKey is UPKAZFCXHLBZPT-FTUZMNKQSA-N. The full InChI is InChI=1S/C17H28N2.ClH/c1-12(2)19(13(3)4)16(18)14-8-10-15(11-9-14)17(5,6)7;/h8-13,18H,1-7H3;1H/b18-16-;.
What are the key properties of 4-tert-butyl-N,N-di(propan-2-yl)benzenecarboximidamide;hydrochloride?
4-tert-butyl-N,N-di(propan-2-yl)benzenecarboximidamide;hydrochloride has a molecular weight of 296.89 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N,N-di(propan-2-yl)benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 155895383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).