N-[2-[1-(heptan-4-ylamino)ethenyl]-6-(4-methylphenyl)-3-pyridinyl]-N'-[(4-methylphenyl)methyl]ethanimidamide;2-methylpropane

C35H50N4 — CID 143706609

IUPACN-[2-[1-(heptan-4-ylamino)ethenyl]-6-(4-methylphenyl)-3-pyridinyl]-N'-[(4-methylphenyl)methyl]ethanimidamide;2-methylpropane
SMILESC=C(NC(CCC)CCC)c1nc(-c2ccc(C)cc2)ccc1N/C(C)=N/Cc1ccc(C)cc1.CC(C)C
InChIInChI=1S/C31H40N4.C4H10/c1-7-9-28(10-8-2)33-24(5)31-30(20-19-29(35-31)27-17-13-23(4)14-18-27)34-25(6)32-21-26-15-11-22(3)12-16-26;1-4(2)3/h11-20,28,33H,5,7-10,21H2,1-4,6H3,(H,32,34);4H,1-3H3
InChIKeyIWBRZGOMWVERRP-UHFFFAOYSA-N
MW526.81 g/mol
LogP9.59
Rot. Bonds11

About N-[2-[1-(heptan-4-ylamino)ethenyl]-6-(4-methylphenyl)-3-pyridinyl]-N'-[(4-methylphenyl)methyl]ethanimidamide;2-methylpropane

N-[2-[1-(heptan-4-ylamino)ethenyl]-6-(4-methylphenyl)-3-pyridinyl]-N'-[(4-methylphenyl)methyl]ethanimidamide;2-methylpropane (PubChem CID 143706609) has the molecular formula C35H50N4 and a molecular weight of 526.81 g/mol. Its IUPAC name is N-[2-[1-(heptan-4-ylamino)ethenyl]-6-(4-methylphenyl)-3-pyridinyl]-N'-[(4-methylphenyl)methyl]ethanimidamide;2-methylpropane.

Molecular Properties

Compound NameN-[2-[1-(heptan-4-ylamino)ethenyl]-6-(4-methylphenyl)-3-pyridinyl]-N'-[(4-methylphenyl)methyl]ethanimidamide;2-methylpropane
PubChem CID143706609
Molecular FormulaC35H50N4
Molecular Weight526.81 g/mol
Exact Mass526.40
IUPAC NameN-[2-[1-(heptan-4-ylamino)ethenyl]-6-(4-methylphenyl)-3-pyridinyl]-N'-[(4-methylphenyl)methyl]ethanimidamide;2-methylpropane
SMILESC=C(NC(CCC)CCC)c1nc(-c2ccc(C)cc2)ccc1N/C(C)=N/Cc1ccc(C)cc1.CC(C)C
InChIInChI=1S/C31H40N4.C4H10/c1-7-9-28(10-8-2)33-24(5)31-30(20-19-29(35-31)27-17-13-23(4)14-18-27)34-25(6)32-21-26-15-11-22(3)12-16-26;1-4(2)3/h11-20,28,33H,5,7-10,21H2,1-4,6H3,(H,32,34);4H,1-3H3
InChIKeyIWBRZGOMWVERRP-UHFFFAOYSA-N
XLogP9.59
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.81
LogP ≤ 59.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[1-(4-methylphenyl)ethenyl]heptan-4-amine
CID 166131643
N-propan-2-yl-N'-[[4-[[1-(propan-2-ylamino)ethylideneamino]methyl]phenyl]methyl]ethanimidamide
CID 162108259
1-heptan-4-yl-3-(2-methoxy-4-methylphenyl)urea
CID 58607437
N'-[(4-methylphenyl)methyl]-N-[2-oxo-2-(3-pent-1-en-2-ylpiperidin-1-yl)ethyl]ethanimidamide
CID 123646617
1-(2,2-diethyl-4-hydroxybutyl)-3-ethyl-2-[(4-methylphenyl)methyl]guanidine
CID 111716194
N-[(4-methylphenyl)methyl]hexan-3-amine
CID 62117408
1-amino-3-ethyl-2-[(4-methylphenyl)methyl]guanidine
CID 116512550
1-tert-butyl-2-[(4-methylphenyl)methyl]guanidine;hydroiodide
CID 110912100
1-amino-3-butyl-2-[(4-methylphenyl)methyl]guanidine
CID 116512548
1-methyl-4-(2-methylprop-2-enoxymethyl)benzene
CID 10702431
(4R)-6-methyl-7-(2-methylphenyl)imino-N-[1-(6-methylquinolin-4-yl)ethenyl]octan-4-amine
CID 126607364
N'-(5-methylhexyl)ethanimidamide;1-methyl-4-(2-methylpropyl)benzene
CID 158835356

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(heptan-4-ylamino)ethenyl]-6-(4-methylphenyl)-3-pyridinyl]-N'-[(4-methylphenyl)methyl]ethanimidamide;2-methylpropane?
The IUPAC name of N-[2-[1-(heptan-4-ylamino)ethenyl]-6-(4-methylphenyl)-3-pyridinyl]-N'-[(4-methylphenyl)methyl]ethanimidamide;2-methylpropane (CID 143706609) is N-[2-[1-(heptan-4-ylamino)ethenyl]-6-(4-methylphenyl)-3-pyridinyl]-N'-[(4-methylphenyl)methyl]ethanimidamide;2-methylpropane.
What is the SMILES notation for N-[2-[1-(heptan-4-ylamino)ethenyl]-6-(4-methylphenyl)-3-pyridinyl]-N'-[(4-methylphenyl)methyl]ethanimidamide;2-methylpropane?
The canonical SMILES for N-[2-[1-(heptan-4-ylamino)ethenyl]-6-(4-methylphenyl)-3-pyridinyl]-N'-[(4-methylphenyl)methyl]ethanimidamide;2-methylpropane is C=C(NC(CCC)CCC)c1nc(-c2ccc(C)cc2)ccc1N/C(C)=N/Cc1ccc(C)cc1.CC(C)C.
What is the InChIKey of N-[2-[1-(heptan-4-ylamino)ethenyl]-6-(4-methylphenyl)-3-pyridinyl]-N'-[(4-methylphenyl)methyl]ethanimidamide;2-methylpropane?
The InChIKey is IWBRZGOMWVERRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N4.C4H10/c1-7-9-28(10-8-2)33-24(5)31-30(20-19-29(35-31)27-17-13-23(4)14-18-27)34-25(6)32-21-26-15-11-22(3)12-16-26;1-4(2)3/h11-20,28,33H,5,7-10,21H2,1-4,6H3,(H,32,34);4H,1-3H3.
What are the key properties of N-[2-[1-(heptan-4-ylamino)ethenyl]-6-(4-methylphenyl)-3-pyridinyl]-N'-[(4-methylphenyl)methyl]ethanimidamide;2-methylpropane?
N-[2-[1-(heptan-4-ylamino)ethenyl]-6-(4-methylphenyl)-3-pyridinyl]-N'-[(4-methylphenyl)methyl]ethanimidamide;2-methylpropane has a molecular weight of 526.81 g/mol, XLogP of 9.59, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(heptan-4-ylamino)ethenyl]-6-(4-methylphenyl)-3-pyridinyl]-N'-[(4-methylphenyl)methyl]ethanimidamide;2-methylpropane is sourced from PubChem (CID 143706609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).