N'-but-1-en-2-ylbenzenecarboximidamide;ethane;methylcyclohexane;N,N,2-trimethylquinazolin-4-amine

C31H47N5 — CID 142230852

IUPACN'-but-1-en-2-ylbenzenecarboximidamide;ethane;methylcyclohexane;N,N,2-trimethylquinazolin-4-amine
SMILESC=C(CC)/N=C(\N)c1ccccc1.CC.CC1CCCCC1.Cc1nc(N(C)C)c2ccccc2n1
InChIInChI=1S/C11H13N3.C11H14N2.C7H14.C2H6/c1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3;1-3-9(2)13-11(12)10-7-5-4-6-8-10;1-7-5-3-2-4-6-7;1-2/h4-7H,1-3H3;4-8H,2-3H2,1H3,(H2,12,13);7H,2-6H2,1H3;1-2H3
InChIKeyONCIAYUCRUKNRF-UHFFFAOYSA-N
MW489.75 g/mol
LogP7.93
Rot. Bonds4

About N'-but-1-en-2-ylbenzenecarboximidamide;ethane;methylcyclohexane;N,N,2-trimethylquinazolin-4-amine

N'-but-1-en-2-ylbenzenecarboximidamide;ethane;methylcyclohexane;N,N,2-trimethylquinazolin-4-amine (PubChem CID 142230852) has the molecular formula C31H47N5 and a molecular weight of 489.75 g/mol. Its IUPAC name is N'-but-1-en-2-ylbenzenecarboximidamide;ethane;methylcyclohexane;N,N,2-trimethylquinazolin-4-amine.

Molecular Properties

Compound NameN'-but-1-en-2-ylbenzenecarboximidamide;ethane;methylcyclohexane;N,N,2-trimethylquinazolin-4-amine
PubChem CID142230852
Molecular FormulaC31H47N5
Molecular Weight489.75 g/mol
Exact Mass489.38
IUPAC NameN'-but-1-en-2-ylbenzenecarboximidamide;ethane;methylcyclohexane;N,N,2-trimethylquinazolin-4-amine
SMILESC=C(CC)/N=C(\N)c1ccccc1.CC.CC1CCCCC1.Cc1nc(N(C)C)c2ccccc2n1
InChIInChI=1S/C11H13N3.C11H14N2.C7H14.C2H6/c1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3;1-3-9(2)13-11(12)10-7-5-4-6-8-10;1-7-5-3-2-4-6-7;1-2/h4-7H,1-3H3;4-8H,2-3H2,1H3,(H2,12,13);7H,2-6H2,1H3;1-2H3
InChIKeyONCIAYUCRUKNRF-UHFFFAOYSA-N
XLogP7.93
TPSA67.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.75
LogP ≤ 57.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-but-1-en-2-ylbenzenecarboximidamide;ethane;methylcyclohexane;N,N,2-trimethylquinazolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

1-(4-bromophenyl)ethanone;ethane;methylcyclohexane;N,N,2-trimethylquinazolin-4-amine
CID 142228800
1,4-dimethylcyclohexane;ethylcyclopropane;N,N,2-trimethylquinazolin-4-amine
CID 142230066
1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine
CID 142230163
1-cyclohexyl-N-[(4-methylcyclohexyl)methyl]methanamine;phenylmethanol;N,N,2-trimethylquinazolin-4-amine
CID 142229379
1,4-dimethylcyclohexane;N,N,2-trimethylquinazolin-4-amine;4,4,4-tris(4-chlorophenyl)butan-2-one
CID 142228370
1,4-dimethylcyclohexane;1-(3-phenylcinnolin-4-yl)ethanone;N,N,2-trimethylquinazolin-4-amine
CID 142230283
1,1-bis(4-chlorophenyl)propan-2-one;1,4-dimethylcyclohexane;ethane;N,N,2-trimethylquinazolin-4-amine
CID 142228930
2-butyl-6-methylpyridine;ethane;1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine
CID 142228214
N-[[4-(difluoromethyl)phenyl]methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine
CID 142230510
N-[(Z)-1-chlorobutan-2-ylideneamino]-N-methylmethanamine;1,4-dipropylcyclohexane;N,N,2-trimethylquinazolin-4-amine
CID 142231303
acetamide;1,4-dimethylcyclohexane;4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-one;N,N,2-trimethylquinazolin-4-amine
CID 142229291
(E)-4-(N-amino-4-chloroanilino)-3-methylhept-3-en-2-one;1,4-dimethylcyclohexane;N,N,2-trimethylquinazolin-4-amine
CID 142230372

Frequently Asked Questions

What is the IUPAC name of N'-but-1-en-2-ylbenzenecarboximidamide;ethane;methylcyclohexane;N,N,2-trimethylquinazolin-4-amine?
The IUPAC name of N'-but-1-en-2-ylbenzenecarboximidamide;ethane;methylcyclohexane;N,N,2-trimethylquinazolin-4-amine (CID 142230852) is N'-but-1-en-2-ylbenzenecarboximidamide;ethane;methylcyclohexane;N,N,2-trimethylquinazolin-4-amine.
What is the SMILES notation for N'-but-1-en-2-ylbenzenecarboximidamide;ethane;methylcyclohexane;N,N,2-trimethylquinazolin-4-amine?
The canonical SMILES for N'-but-1-en-2-ylbenzenecarboximidamide;ethane;methylcyclohexane;N,N,2-trimethylquinazolin-4-amine is C=C(CC)/N=C(\N)c1ccccc1.CC.CC1CCCCC1.Cc1nc(N(C)C)c2ccccc2n1.
What is the InChIKey of N'-but-1-en-2-ylbenzenecarboximidamide;ethane;methylcyclohexane;N,N,2-trimethylquinazolin-4-amine?
The InChIKey is ONCIAYUCRUKNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3.C11H14N2.C7H14.C2H6/c1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3;1-3-9(2)13-11(12)10-7-5-4-6-8-10;1-7-5-3-2-4-6-7;1-2/h4-7H,1-3H3;4-8H,2-3H2,1H3,(H2,12,13);7H,2-6H2,1H3;1-2H3.
What are the key properties of N'-but-1-en-2-ylbenzenecarboximidamide;ethane;methylcyclohexane;N,N,2-trimethylquinazolin-4-amine?
N'-but-1-en-2-ylbenzenecarboximidamide;ethane;methylcyclohexane;N,N,2-trimethylquinazolin-4-amine has a molecular weight of 489.75 g/mol, XLogP of 7.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-1-en-2-ylbenzenecarboximidamide;ethane;methylcyclohexane;N,N,2-trimethylquinazolin-4-amine is sourced from PubChem (CID 142230852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).