N-benzyl-N-methylbut-1-en-2-amine;ethane;2-propan-2-yl-1,3-benzoxazole

C24H34N2O — CID 164902487

IUPACN-benzyl-N-methylbut-1-en-2-amine;ethane;2-propan-2-yl-1,3-benzoxazole
SMILESC=C(CC)N(C)Cc1ccccc1.CC.CC(C)c1nc2ccccc2o1
InChIInChI=1S/C12H17N.C10H11NO.C2H6/c1-4-11(2)13(3)10-12-8-6-5-7-9-12;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-2/h5-9H,2,4,10H2,1,3H3;3-7H,1-2H3;1-2H3
InChIKeyYFXVVFOZCGQAHA-UHFFFAOYSA-N
MW366.55 g/mol
LogP7.02
Rot. Bonds5

About N-benzyl-N-methylbut-1-en-2-amine;ethane;2-propan-2-yl-1,3-benzoxazole

N-benzyl-N-methylbut-1-en-2-amine;ethane;2-propan-2-yl-1,3-benzoxazole (PubChem CID 164902487) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is N-benzyl-N-methylbut-1-en-2-amine;ethane;2-propan-2-yl-1,3-benzoxazole.

Molecular Properties

Compound NameN-benzyl-N-methylbut-1-en-2-amine;ethane;2-propan-2-yl-1,3-benzoxazole
PubChem CID164902487
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC NameN-benzyl-N-methylbut-1-en-2-amine;ethane;2-propan-2-yl-1,3-benzoxazole
SMILESC=C(CC)N(C)Cc1ccccc1.CC.CC(C)c1nc2ccccc2o1
InChIInChI=1S/C12H17N.C10H11NO.C2H6/c1-4-11(2)13(3)10-12-8-6-5-7-9-12;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-2/h5-9H,2,4,10H2,1,3H3;3-7H,1-2H3;1-2H3
InChIKeyYFXVVFOZCGQAHA-UHFFFAOYSA-N
XLogP7.02
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-phenylbutan-2-yl)-1,3-benzoxazole
CID 166439592
2-[benzyl(methyl)amino]-1,3-benzoxazol-6-ol
CID 156778570
2-[1,3-benzoxazol-2-yl(benzyl)amino]ethanol
CID 60979792
4-[2-[1,3-benzoxazol-2-yl(methyl)amino]propyl]phenol
CID 71853717
2-heptan-4-yl-1,3-benzoxazole
CID 71228130
2-(1,3-benzoxazol-2-yl)-3-methylbutan-1-ol
CID 116999943
5-(bromomethyl)-2-propan-2-yl-1,3-benzoxazole
CID 15662276
2-(dibromomethyl)-1,3-benzoxazole
CID 91619168
(2S)-2-amino-1-(1,3-benzoxazol-2-yl)butan-1-ol
CID 11665617
3-[1,3-benzoxazol-2-yl(methyl)amino]-N'-hydroxybutanimidamide
CID 63223801
(1R)-1-(1,3-benzoxazol-2-yl)-N-[(2-bromophenyl)methyl]-N-methylethanamine
CID 97260551
N-benzyl-N,5-dimethyl-1,3-benzoxazol-2-amine
CID 53376845

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methylbut-1-en-2-amine;ethane;2-propan-2-yl-1,3-benzoxazole?
The IUPAC name of N-benzyl-N-methylbut-1-en-2-amine;ethane;2-propan-2-yl-1,3-benzoxazole (CID 164902487) is N-benzyl-N-methylbut-1-en-2-amine;ethane;2-propan-2-yl-1,3-benzoxazole.
What is the SMILES notation for N-benzyl-N-methylbut-1-en-2-amine;ethane;2-propan-2-yl-1,3-benzoxazole?
The canonical SMILES for N-benzyl-N-methylbut-1-en-2-amine;ethane;2-propan-2-yl-1,3-benzoxazole is C=C(CC)N(C)Cc1ccccc1.CC.CC(C)c1nc2ccccc2o1.
What is the InChIKey of N-benzyl-N-methylbut-1-en-2-amine;ethane;2-propan-2-yl-1,3-benzoxazole?
The InChIKey is YFXVVFOZCGQAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.C10H11NO.C2H6/c1-4-11(2)13(3)10-12-8-6-5-7-9-12;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-2/h5-9H,2,4,10H2,1,3H3;3-7H,1-2H3;1-2H3.
What are the key properties of N-benzyl-N-methylbut-1-en-2-amine;ethane;2-propan-2-yl-1,3-benzoxazole?
N-benzyl-N-methylbut-1-en-2-amine;ethane;2-propan-2-yl-1,3-benzoxazole has a molecular weight of 366.55 g/mol, XLogP of 7.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methylbut-1-en-2-amine;ethane;2-propan-2-yl-1,3-benzoxazole is sourced from PubChem (CID 164902487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).