3-amino-N',4,4-trimethyl-N-[3-methyl-4-(2-methylprop-2-enyl)phenyl]pent-2-enimidamide

C19H29N3 — CID 174067089

IUPAC3-amino-N',4,4-trimethyl-N-[3-methyl-4-(2-methylprop-2-enyl)phenyl]pent-2-enimidamide
SMILESC=C(C)Cc1ccc(N/C(C=C(N)C(C)(C)C)=N\C)cc1C
InChIInChI=1S/C19H29N3/c1-13(2)10-15-8-9-16(11-14(15)3)22-18(21-7)12-17(20)19(4,5)6/h8-9,11-12H,1,10,20H2,2-7H3,(H,21,22)
InChIKeyPHCVKYSQECXMLV-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.44
Rot. Bonds4

About 3-amino-N',4,4-trimethyl-N-[3-methyl-4-(2-methylprop-2-enyl)phenyl]pent-2-enimidamide

3-amino-N',4,4-trimethyl-N-[3-methyl-4-(2-methylprop-2-enyl)phenyl]pent-2-enimidamide (PubChem CID 174067089) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 3-amino-N',4,4-trimethyl-N-[3-methyl-4-(2-methylprop-2-enyl)phenyl]pent-2-enimidamide.

Molecular Properties

Compound Name3-amino-N',4,4-trimethyl-N-[3-methyl-4-(2-methylprop-2-enyl)phenyl]pent-2-enimidamide
PubChem CID174067089
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC Name3-amino-N',4,4-trimethyl-N-[3-methyl-4-(2-methylprop-2-enyl)phenyl]pent-2-enimidamide
SMILESC=C(C)Cc1ccc(N/C(C=C(N)C(C)(C)C)=N\C)cc1C
InChIInChI=1S/C19H29N3/c1-13(2)10-15-8-9-16(11-14(15)3)22-18(21-7)12-17(20)19(4,5)6/h8-9,11-12H,1,10,20H2,2-7H3,(H,21,22)
InChIKeyPHCVKYSQECXMLV-UHFFFAOYSA-N
XLogP4.44
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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(E)-N'-(1-aminoethenyl)-3-chloro-N-(3-chloro-4-methylphenyl)but-2-enimidamide;2-methylpropane
CID 143338928
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2-(ethylamino)-N-(4-ethyl-3-methylphenyl)-2-methylpropanamide
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2-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]guanidine
CID 62381123
(Z)-N-(4-amino-3-methoxyphenyl)-3-(2-methoxyphenyl)-N'-methyl-3-(methylideneamino)prop-2-enimidamide
CID 129015180
(3-methyl-4-tridecylphenyl)urea
CID 59703142
(E)-2-methyl-N-(3-methyl-4-propylphenyl)but-2-enamide
CID 142913315
3-methyl-N-[4-(4-methyl-3-propylphenyl)but-1-en-2-yl]-4-propylaniline
CID 167073155
1-(3-bromo-4-methylphenyl)-2-methylguanidine
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N-(4-amino-3-methylphenyl)prop-2-enamide
CID 90104581

Frequently Asked Questions

What is the IUPAC name of 3-amino-N',4,4-trimethyl-N-[3-methyl-4-(2-methylprop-2-enyl)phenyl]pent-2-enimidamide?
The IUPAC name of 3-amino-N',4,4-trimethyl-N-[3-methyl-4-(2-methylprop-2-enyl)phenyl]pent-2-enimidamide (CID 174067089) is 3-amino-N',4,4-trimethyl-N-[3-methyl-4-(2-methylprop-2-enyl)phenyl]pent-2-enimidamide.
What is the SMILES notation for 3-amino-N',4,4-trimethyl-N-[3-methyl-4-(2-methylprop-2-enyl)phenyl]pent-2-enimidamide?
The canonical SMILES for 3-amino-N',4,4-trimethyl-N-[3-methyl-4-(2-methylprop-2-enyl)phenyl]pent-2-enimidamide is C=C(C)Cc1ccc(N/C(C=C(N)C(C)(C)C)=N\C)cc1C.
What is the InChIKey of 3-amino-N',4,4-trimethyl-N-[3-methyl-4-(2-methylprop-2-enyl)phenyl]pent-2-enimidamide?
The InChIKey is PHCVKYSQECXMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3/c1-13(2)10-15-8-9-16(11-14(15)3)22-18(21-7)12-17(20)19(4,5)6/h8-9,11-12H,1,10,20H2,2-7H3,(H,21,22).
What are the key properties of 3-amino-N',4,4-trimethyl-N-[3-methyl-4-(2-methylprop-2-enyl)phenyl]pent-2-enimidamide?
3-amino-N',4,4-trimethyl-N-[3-methyl-4-(2-methylprop-2-enyl)phenyl]pent-2-enimidamide has a molecular weight of 299.46 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N',4,4-trimethyl-N-[3-methyl-4-(2-methylprop-2-enyl)phenyl]pent-2-enimidamide is sourced from PubChem (CID 174067089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).