N-(2,3-dimethylpent-1-en-3-yl)-4-methylaniline;ethane;1-methyl-4-(4-propylphenyl)benzene

C32H45N — CID 143188287

IUPACN-(2,3-dimethylpent-1-en-3-yl)-4-methylaniline;ethane;1-methyl-4-(4-propylphenyl)benzene
SMILESC=C(C)C(C)(CC)Nc1ccc(C)cc1.CC.CCCc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C16H18.C14H21N.C2H6/c1-3-4-14-7-11-16(12-8-14)15-9-5-13(2)6-10-15;1-6-14(5,11(2)3)15-13-9-7-12(4)8-10-13;1-2/h5-12H,3-4H2,1-2H3;7-10,15H,2,6H2,1,3-5H3;1-2H3
InChIKeyPDCHANHZKROGFO-UHFFFAOYSA-N
MW443.72 g/mol
LogP9.79
Rot. Bonds7

About N-(2,3-dimethylpent-1-en-3-yl)-4-methylaniline;ethane;1-methyl-4-(4-propylphenyl)benzene

N-(2,3-dimethylpent-1-en-3-yl)-4-methylaniline;ethane;1-methyl-4-(4-propylphenyl)benzene (PubChem CID 143188287) has the molecular formula C32H45N and a molecular weight of 443.72 g/mol. Its IUPAC name is N-(2,3-dimethylpent-1-en-3-yl)-4-methylaniline;ethane;1-methyl-4-(4-propylphenyl)benzene.

Molecular Properties

Compound NameN-(2,3-dimethylpent-1-en-3-yl)-4-methylaniline;ethane;1-methyl-4-(4-propylphenyl)benzene
PubChem CID143188287
Molecular FormulaC32H45N
Molecular Weight443.72 g/mol
Exact Mass443.36
IUPAC NameN-(2,3-dimethylpent-1-en-3-yl)-4-methylaniline;ethane;1-methyl-4-(4-propylphenyl)benzene
SMILESC=C(C)C(C)(CC)Nc1ccc(C)cc1.CC.CCCc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C16H18.C14H21N.C2H6/c1-3-4-14-7-11-16(12-8-14)15-9-5-13(2)6-10-15;1-6-14(5,11(2)3)15-13-9-7-12(4)8-10-13;1-2/h5-12H,3-4H2,1-2H3;7-10,15H,2,6H2,1,3-5H3;1-2H3
InChIKeyPDCHANHZKROGFO-UHFFFAOYSA-N
XLogP9.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.72
LogP ≤ 59.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-(4-propylphenyl)benzene
CID 157416879
1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 140875006
butane;ethane;1-methyl-4-propylbenzene;propane
CID 142050311
1-methyl-4-phenylbenzene;1-phenyl-4-propylbenzene
CID 143481088
ethane;2-methylpropane;1-methyl-4-propylbenzene
CID 142174844
1-methyl-4-propylbenzene;molecular fluorine
CID 167533310
3-methyl-3-(4-propylanilino)butan-1-ol
CID 115133797
ethyl 2-methyl-2-(4-methylanilino)pentanoate
CID 54889848
ethane;1-ethyl-4-(4-propylphenyl)benzene
CID 142388235
1-N,2-dimethyl-2-N-(4-propylphenyl)propane-1,2-diamine
CID 115132400
1-(2,3-dimethylpent-1-en-3-yl)-2-methyl-4-[(4-methylphenyl)methyl]benzene
CID 145399611
ethane;formamide;1-methyl-4-propylbenzene
CID 143471754

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylpent-1-en-3-yl)-4-methylaniline;ethane;1-methyl-4-(4-propylphenyl)benzene?
The IUPAC name of N-(2,3-dimethylpent-1-en-3-yl)-4-methylaniline;ethane;1-methyl-4-(4-propylphenyl)benzene (CID 143188287) is N-(2,3-dimethylpent-1-en-3-yl)-4-methylaniline;ethane;1-methyl-4-(4-propylphenyl)benzene.
What is the SMILES notation for N-(2,3-dimethylpent-1-en-3-yl)-4-methylaniline;ethane;1-methyl-4-(4-propylphenyl)benzene?
The canonical SMILES for N-(2,3-dimethylpent-1-en-3-yl)-4-methylaniline;ethane;1-methyl-4-(4-propylphenyl)benzene is C=C(C)C(C)(CC)Nc1ccc(C)cc1.CC.CCCc1ccc(-c2ccc(C)cc2)cc1.
What is the InChIKey of N-(2,3-dimethylpent-1-en-3-yl)-4-methylaniline;ethane;1-methyl-4-(4-propylphenyl)benzene?
The InChIKey is PDCHANHZKROGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18.C14H21N.C2H6/c1-3-4-14-7-11-16(12-8-14)15-9-5-13(2)6-10-15;1-6-14(5,11(2)3)15-13-9-7-12(4)8-10-13;1-2/h5-12H,3-4H2,1-2H3;7-10,15H,2,6H2,1,3-5H3;1-2H3.
What are the key properties of N-(2,3-dimethylpent-1-en-3-yl)-4-methylaniline;ethane;1-methyl-4-(4-propylphenyl)benzene?
N-(2,3-dimethylpent-1-en-3-yl)-4-methylaniline;ethane;1-methyl-4-(4-propylphenyl)benzene has a molecular weight of 443.72 g/mol, XLogP of 9.79, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylpent-1-en-3-yl)-4-methylaniline;ethane;1-methyl-4-(4-propylphenyl)benzene is sourced from PubChem (CID 143188287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).